{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1360021391868254336.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1002/chem.202401627"}},{"identifier":{"@type":"URI","@value":"https://chemistry-europe.onlinelibrary.wiley.com/doi/pdf/10.1002/chem.202401627"}}],"resourceType":"学術雑誌論文(journal article)","dc:title":[{"@value":"Unusually Short H⋅⋅⋅H Contacts in Intramolecularly Cyclized Helically Fused Anthracenes"}],"description":[{"type":"abstract","notation":[{"@value":"<jats:title>Abstract</jats:title><jats:p>The intramolecular coupling of dichloro‐substituted helically fused anthracenes using the Yamamoto coupling yielded cyclized products with sterically congested molecular structures. The X‐ray analysis and DFT calculations showed that the aromatic framework adopted a nonplanar structure with a twisted conformation about the newly formed single bond, which acts as a chiral axis. Interestingly, the X‐ray structure obtained through the Hirshfeld atom refinement revealed short interatomic distances between the inner hydrogen atoms (1.648–1.692 Å), much shorter than the sum of their van der Waals radii. Owing to these unusually short contacts, the <jats:sup>1</jats:sup>H NMR spectrum exhibited a significant deshielding (12.5 ppm) and a large nuclear Overhauser effect (44 %). Additionally, the IR spectrum displayed a high‐frequency shift of the C−H stretching vibration. These observations, along with the noncovalent interaction plot indicative of a characteristic steric environment, strongly support the presence of steric hindrance. Moreover, dynamic NMR measurement of the mesityl‐substituted derivative yielded a barrier to helical inversion of 84 kJ mol<jats:sup>−1</jats:sup>. The optical properties and crystal packing of the cyclized products are also reported.</jats:p>"}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1380021391868254336","@type":"Researcher","foaf:name":[{"@value":"Hiroki Fukuda"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry, School of Science Tokyo Institute of Technology  2-12-1 Ookayama, Meguro-ku Tokyo 152-8551 Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380021391868254464","@type":"Researcher","foaf:name":[{"@value":"Eiji Tsurumaki"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry, School of Science Tokyo Institute of Technology  2-12-1 Ookayama, Meguro-ku Tokyo 152-8551 Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380021391868254337","@type":"Researcher","foaf:name":[{"@value":"Kan Wakamatsu"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry, Faculty of Science Okayama University of Science  1-1 Ridaicho, Kita-ku Okayama 700-0005 Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380021391868254208","@type":"Researcher","foaf:name":[{"@value":"Shinji Toyota"}],"jpcoar:affiliationName":[{"@value":"Department of Chemistry, School of Science Tokyo Institute of Technology  2-12-1 Ookayama, Meguro-ku Tokyo 152-8551 Japan"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"09476539"},{"@type":"EISSN","@value":"15213765"}],"prism:publicationName":[{"@value":"Chemistry – A European Journal"}],"dc:publisher":[{"@value":"Wiley"}],"prism:publicationDate":"2024-06-26","prism:volume":"30","prism:number":"41"},"reviewed":"false","dcterms:accessRights":"http://purl.org/coar/access_right/c_abf2","dc:rights":["http://creativecommons.org/licenses/by/4.0/"],"url":[{"@id":"https://chemistry-europe.onlinelibrary.wiley.com/doi/pdf/10.1002/chem.202401627"}],"createdAt":"2024-05-16","modifiedAt":"2025-10-12","project":[{"@id":"https://cir.nii.ac.jp/crid/1040010457607065216","@type":"Project","projectIdentifier":[{"@type":"KAKEN","@value":"22K05077"},{"@type":"JGN","@value":"JP22K05077"},{"@type":"URI","@value":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22K05077/"}],"notation":[{"@language":"ja","@value":"分子内環化反応を利用するπ拡張サーキュレンの合成および機能性の開拓"},{"@language":"en","@value":"Synthesis and Application of pi-Expanded Circulenes By Intramolecular Cyclizations"}]},{"@id":"https://cir.nii.ac.jp/crid/1040862776834168960","@type":"Project","projectIdentifier":[{"@type":"KAKEN","@value":"23K26637"},{"@type":"JGN","@value":"JP23K26637"},{"@type":"URI","@value":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23K26637/"}],"notation":[{"@language":"ja","@value":"芳香環ナノアーキテクトの新展開：パイ共役系の創る構造と空間の最適化と機能創出"},{"@language":"en","@value":"New developments in aromatic architect: optimization of structures and spaces and created by pi-conjugated systems and functionalization"}]}],"relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1050008389822851456","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@language":"en","@value":"One‐Step Simultaneous Synthesis of Circularly Polarized Luminescent Multiple Helicenes Using a Chrysene Framework"},{"@value":"One-Step Simultaneous Synthesis of Circularly Polarized Luminescent Multiple Helicenes Using a Chrysene Framework"}]},{"@id":"https://cir.nii.ac.jp/crid/1050564288767224064","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Symmetric Multiple Carbohelicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360002216672300160","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Theoretical and Experimental Studies on Circular Dichroism of Carbo[<i>n</i>]helicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360004237005090816","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Box-shaped Cyclic Oligoarenes: Synthesis and Structure of Anthracene-1,8-diyl Cyclic Tetramers"}]},{"@id":"https://cir.nii.ac.jp/crid/1360011143630850688","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Seeking for ultrashort “non-bonded” hydrogen–hydrogen contacts in some rigid hydrocarbons and their chlorinated derivatives"}]},{"@id":"https://cir.nii.ac.jp/crid/1360011144391021824","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"U-shaped relationship between current and pitch in helicene molecules"}]},{"@id":"https://cir.nii.ac.jp/crid/1360011144836052864","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"The ORCA program system"}]},{"@id":"https://cir.nii.ac.jp/crid/1360011145265387392","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Synthesis of 1,16-didehydrohexahelicene. A member of the [7]circulenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360011145742163840","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Recent Advances in Functionalizations of Helicene Backbone"}]},{"@id":"https://cir.nii.ac.jp/crid/1360011146497431168","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L<sub>3</sub>P] <sup>3+</sup>: Applications in Pt(II) Catalysis"}]},{"@id":"https://cir.nii.ac.jp/crid/1360013168792636544","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Infinitene: A Helically Twisted Figure-Eight [12]Circulene Topoisomer"}]},{"@id":"https://cir.nii.ac.jp/crid/1360013168830216960","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Synthesis, Structures, and Properties of Helically Fused Anthraquinones with Unusually Close Carbonyl‐Carbonyl Contacts"}]},{"@id":"https://cir.nii.ac.jp/crid/1360016866453924352","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"New advances in chiral nanographene chemistry"}]},{"@id":"https://cir.nii.ac.jp/crid/1360017285975576576","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Nitrogen-Embedded Quintuple [7]Helicene: A Helicene–Azacorannulene Hybrid with Strong Near-Infrared Fluorescence"}]},{"@id":"https://cir.nii.ac.jp/crid/1360017286287743616","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Helical Molecular Springs with Varying Spring Constants"}]},{"@id":"https://cir.nii.ac.jp/crid/1360021390743091584","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Expanded [2,1][\n                    <i>n</i>\n                    ]Carbohelicenes with 15- and 17-Benzene Rings"}]},{"@id":"https://cir.nii.ac.jp/crid/1360021395172996096","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Exploring Ultrashort Hydrogen–Hydrogen Nonbonded Contacts in Constrained Molecular Cavities"}]},{"@id":"https://cir.nii.ac.jp/crid/1360021395473399936","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"A Fused [5]Helicene Dimer with a Figure‐Eight Topology: Synthesis, Chiral Resolution, and Electronic Properties"}]},{"@id":"https://cir.nii.ac.jp/crid/1360021396347091968","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Straightforward Synthesis of Pentagon‐Embedded Expanded [11]Helicenes for Radiative Cooling Property"}]},{"@id":"https://cir.nii.ac.jp/crid/1360021396347949056","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Highly Distorted Multiple Helicenes: Syntheses, Structural Analyses, and Properties"}]},{"@id":"https://cir.nii.ac.jp/crid/1360021396348081280","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Self-assembled organic tubular host for van der Waals guest inclusion"}]},{"@id":"https://cir.nii.ac.jp/crid/1360021396348113024","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"[4]Helicene-based anions in electrocrystallization with tetrachalcogeno-fulvalene donors"}]},{"@id":"https://cir.nii.ac.jp/crid/1360021396348751616","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Molecular Vibrations of Cyclo[d.e.e.d.e.e.d.e.e]nonakisbenzene and the Topology of Primitive Coronoids with Trigonal Symmetry."}]},{"@id":"https://cir.nii.ac.jp/crid/1360285704901901824","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Closed Pentaaza[9]helicene and Hexathia[9]/[5]helicene: Oxidative Fusion Reactions of <i>ortho</i>‐Phenylene‐Bridged Cyclic Hexapyrroles and Hexathiophenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360285708194032000","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Spiroborate-Based Double-Stranded Helicates: <i>Meso</i>-to-<i>Racemo</i> Isomerization and Ion-Triggered Springlike Motion of the <i>Racemo</i>-Helicate"}]},{"@id":"https://cir.nii.ac.jp/crid/1360290617599006080","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Multiple Fused Anthracenes as Helical Polycyclic Aromatic Hydrocarbon Motif for Chiroptical Performance Enhancement"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292618490354048","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Per‐Substituted [8]Circulene and Its Non‐Planar Fragments: Synthesis, Structural Analysis, and Properties"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292620076175744","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint"}]},{"@id":"https://cir.nii.ac.jp/crid/1360294643759397504","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"A pressure-induced ratiometric signalling chemosensor: a case of helical anthracenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360294647171738496","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Elucidation of Diverse Solid‐State Packing in a Family of Electron‐Deficient Expanded Helicenes via Microcrystal Electron Diffraction (MicroED)**"}]},{"@id":"https://cir.nii.ac.jp/crid/1360294647371972608","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Accurate crystal structures and chemical properties from NoSpherA2"}]},{"@id":"https://cir.nii.ac.jp/crid/1360294647604172032","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Exceptional Steric Congestion in an <i>in</i>,<i>in</i>-Bis(hydrosilane)"}]},{"@id":"https://cir.nii.ac.jp/crid/1360294648031885440","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Folding of fluorinated oligoarylenes into non-alternant PAHs with various topological shapes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360294720273938176","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Consecutively fused single‐, double‐, and triple‐expanded helicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360298345518945664","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Multiple [<i>n</i>]helicenes with various aromatic cores"}]},{"@id":"https://cir.nii.ac.jp/crid/1360298760950010368","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Helicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360298762192987520","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Holey graphene: an emerging versatile material"}]},{"@id":"https://cir.nii.ac.jp/crid/1360302867631974656","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Cycloarene, eine neue Klasse aromatischer Verbindungen, IV. Versuche zur Synthese des Cyclo[<i>d.e.e.d.e.e.d.e.e</i>]nonakisbenzens und des Cyclo[<i>d.e.d.e.d.e.d.e.d.e</i>]decakisbenzens"}]},{"@id":"https://cir.nii.ac.jp/crid/1360302867632712576","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Infrared spectroscopy of matrix-isolated neutral polycyclic aromatic nitrogen heterocycles: The acridine series"}]},{"@id":"https://cir.nii.ac.jp/crid/1360302867632816640","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Precise Structural Regulation and Band-Gap Engineering of Curved Graphene Nanoribbons"}]},{"@id":"https://cir.nii.ac.jp/crid/1360302867632946048","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Extremely short non-bonded H ? H distance in two derivatives of exo, exo-tetracyclo[6.2.1.13,6.02,7]dodecane"}]},{"@id":"https://cir.nii.ac.jp/crid/1360302867633009152","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Synthesis and reactivity of a trigonal porous nanographene on a gold surface"}]},{"@id":"https://cir.nii.ac.jp/crid/1360302868284261632","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"All Carbon Helicenes and π‐Extended Helicene Derivatives"}]},{"@id":"https://cir.nii.ac.jp/crid/1360302868284342400","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Intramolecular Alkyne Aromatization: Unexpected Synthesis of Expanded [9]Helicene and π‐Extended Double [4]Helicene, and Their Molecular Geometry Effect on Transistor Memory"}]},{"@id":"https://cir.nii.ac.jp/crid/1360302868285160832","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Ultrashort nonbonded hydrogen...hydrogen distance in a half-cage pentacyclododecane"}]},{"@id":"https://cir.nii.ac.jp/crid/1360302868285294592","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Synthesis of holey graphene for advanced nanotechnological applications"}]},{"@id":"https://cir.nii.ac.jp/crid/1360302868285962624","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"HIGH-RESOLUTION IR ABSORPTION SPECTROSCOPY OF POLYCYCLIC AROMATIC HYDROCARBONS IN THE 3 μm REGION: ROLE OF PERIPHERY"}]},{"@id":"https://cir.nii.ac.jp/crid/1360572092575726080","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Construction of Helical Structures with Multiple Fused Anthracenes: Structures and Properties of Long Expanded Helicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574094236664192","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"London Dispersion Enables the Shortest Intermolecular Hydrocarbon H···H Contact"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574094671809152","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Blocked Rotation in Hexaisopropylbenzene. Evidence for Cyclobutatidene Intermediates in the Trimerization of Diisopropylacetylene by dicobalt Octacarbonyl"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574095497046400","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Expanded Helicenes: A General Synthetic Strategy and Remarkable Supramolecular and Solid-State Behavior"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574095661911424","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Channel forming organic crystals: guest alignment and properties"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574096375528960","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574096444956416","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Advances in helicene derivatives with circularly polarized luminescence"}]},{"@id":"https://cir.nii.ac.jp/crid/1360576118842297856","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Synthesis and Chiral Resolution of Twisted Carbon Nanobelts"}]},{"@id":"https://cir.nii.ac.jp/crid/1360579926692834304","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Atoms in Molecules"}]},{"@id":"https://cir.nii.ac.jp/crid/1360580230595228032","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Facile Synthesis and Chiral Resolution of Expanded Helicenes with up to 35\n                    <i>cata</i>\n                    ‐Fused Benzene Rings**"}]},{"@id":"https://cir.nii.ac.jp/crid/1360582251604196352","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Circularly polarized luminescence of helicenes: A data‐informed insight"}]},{"@id":"https://cir.nii.ac.jp/crid/1360584346090881920","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Conformationally flexible heterohelicenes as stimuli-controlled soft molecular springs"}]},{"@id":"https://cir.nii.ac.jp/crid/1360584346481168000","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Stereoselective Chiral Molecular Carbon Imides Featuring 12‐Fold [5]helicenes Around Four Cores**"}]},{"@id":"https://cir.nii.ac.jp/crid/1360584346481341440","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"A DFT study on spring property of helicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360584346482004352","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Steering the Host Network from Cage to Channel by π···π Interactions among the Guest Molecules"}]},{"@id":"https://cir.nii.ac.jp/crid/1360584346482046208","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Partitioning of π-Electrons in Rings of Polycyclic Benzenoid Hydrocarbons. 2. Catacondensed Coronoids"}]},{"@id":"https://cir.nii.ac.jp/crid/1360584346482050944","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Model approach to the pentagonal dodecahedrane. Synthesis and properties of a monoseco derivative"}]},{"@id":"https://cir.nii.ac.jp/crid/1360588380580972544","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Structures, Chiroptical Properties, and Unexpectedly Facile Helical Inversion of Highly Elongated Anthracene‐Fused Expanded Helicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360848658147531008","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Synthesis of a Helical Analogue of Kekulene: A Flexible π-Expanded Helicene with Large Helical Diameter Acting as a Soft Molecular Spring"}]},{"@id":"https://cir.nii.ac.jp/crid/1360855568439536768","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Solid-state resolution of binaphthyl: crystal and molecular structures of the chiral (A)1 form and racemic (B)1 form and the study of the rearrangement of single crystals. Requirements for development of hemihedral faces for enantiomer identification"}]},{"@id":"https://cir.nii.ac.jp/crid/1360855569437054464","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Chiroptical Properties of Symmetric Double, Triple, and Multiple Helicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1360855570212106496","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Total synthesis of dodecahedrane"}]},{"@id":"https://cir.nii.ac.jp/crid/1360857672072424320","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"In‐Fjord Substitution in Expanded Helicenes: Effects of the Insert on the Inversion Barrier and Helical Pitch"}]},{"@id":"https://cir.nii.ac.jp/crid/1360861710902495744","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Expanded [23]-Helicene with Exceptional Chiroptical Properties via an Iterative Ring-Fusion Strategy"}]},{"@id":"https://cir.nii.ac.jp/crid/1361137044240967424","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Revealing Noncovalent Interactions"}]},{"@id":"https://cir.nii.ac.jp/crid/1361137044952069120","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Synthesis of some diphenyl and triphenyl derivatives of anthracene and naphthalene"}]},{"@id":"https://cir.nii.ac.jp/crid/1361137045873088256","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations"}]},{"@id":"https://cir.nii.ac.jp/crid/1361137045955952128","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Magnetic deshielding of protons due to intramolecular steric interactions with proximate hydrogens"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418519380504320","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Photochemical [2+2] dimerization of [6](1,4)-anthracenophane"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418519385841280","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Kekulenes, cycloarenes, and heterocycloarenes: addressing electronic structure and aromaticity through experiments and calculations"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418519413946496","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"<i>NBO 7.0</i>: New vistas in localized and delocalized chemical bonding theory"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418520691805824","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Hirshfeld atom refinement"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699993849698304","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"<i>OLEX2</i>: a complete structure solution, refinement and analysis program"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699995056102656","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Software update: the ORCA program system, version 4.0"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699995611204608","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Strain visualization for strained macrocycles"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699996046960256","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"One hundred years of helicene chemistry. Part 1: non-stereoselective syntheses of carbohelicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699996424080768","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Crystal structure of a double helicene, diphenanthro[4,3‐a; 3′, 4′‐o] Picene"}]},{"@id":"https://cir.nii.ac.jp/crid/1361975843349195392","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"A remarkably strained cyclopyrenylene trimer that undergoes metal-free direct oxygen insertion into the biaryl C–C σ-bond"}]},{"@id":"https://cir.nii.ac.jp/crid/1361981468423547520","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Expanded Helicenes as Synthons for Chiral Macrocyclic Nanocarbons"}]},{"@id":"https://cir.nii.ac.jp/crid/1361981470306401152","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"VMD: Visual molecular dynamics"}]},{"@id":"https://cir.nii.ac.jp/crid/1361981471464323456","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Carbo[<i>n</i>]helicenes Restricted to Enantiomerize: An Insight into the Design Process of Configurationally Stable Functional Chiral PAHs"}]},{"@id":"https://cir.nii.ac.jp/crid/1362262945529759616","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Sterically Increased C-H Stretching Frequencies in Fused Bicycloheptane and Half-cage Structures<sup>1,2</sup>"}]},{"@id":"https://cir.nii.ac.jp/crid/1362262946379744256","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"WinDNMR: Dynamic NMR Spectra for Windows"}]},{"@id":"https://cir.nii.ac.jp/crid/1362544419515680512","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Multiwfn: A multifunctional wavefunction analyzer"}]},{"@id":"https://cir.nii.ac.jp/crid/1362544419545080576","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Sterically Congested <i>in</i>-Methylcyclophanes"}]},{"@id":"https://cir.nii.ac.jp/crid/1362544421290237696","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Carbon-13 magnetic resonance.  VII.  Steric perturbation of the carbon-13 chemical shift"}]},{"@id":"https://cir.nii.ac.jp/crid/1362825894116616448","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"An easy one-pot desilylation/copper-free Sonogashira cross-coupling reaction assisted by tetra-butylammonium fluoride (TBAF): synthesis of highly π-conjugated porphyrins"}]},{"@id":"https://cir.nii.ac.jp/crid/1362825894542929792","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Small, strained cyclophanes with methine hydrogens projected toward the centers of aromatic rings"}]},{"@id":"https://cir.nii.ac.jp/crid/1362825894921375872","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Crystal structure refinement with<i>SHELXL</i>"}]},{"@id":"https://cir.nii.ac.jp/crid/1362825896385961088","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Lithium-induced cyclization of tribenzocyclyne: synthesis and structural characterization of a novel helicene dianion, its protonated form, silylated isomers of a substituted fulvalene ligand, and a novel dimeric lithium complex"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107368275193600","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"On-Surface Synthesis of a Nonplanar Porous Nanographene"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107368362306048","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Copper(II)-Mediated Oxidative Coupling of 2-Aminonaphthalene Homologues. Competition between the Straight Dimerization and the Formation of Carbazoles"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107368363833472","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"New software for searching the Cambridge Structural Database and visualizing crystal structures"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107368811241728","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Helicene Chemistry"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107368988540288","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"NCIPLOT4: Fast, Robust, and Quantitative Analysis of Noncovalent Interactions"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107370595224704","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"The ORCA quantum chemistry program package"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388843281957120","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Synthesis of Phenanthrenes and Polycyclic Heteroarenes by Transition‐Metal Catalyzed Cycloisomerization Reactions"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388843365765120","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"A quantum theory of molecular structure and its applications"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388843519236608","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"An Exceptionally Close, Non‐Bonded Hydrogen–Hydrogen Contact with Strong Through‐Space Spin–Spin Coupling"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388844969208448","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388845288543872","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Molecular designs for expanding the limits of ultralong C–C bonds and ultrashort H⋯H non-bonded contacts"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388845324134272","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"<i>SHELXT</i>– Integrated space-group and crystal-structure determination"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670318566897280","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Infrared Spectroscopy of Matrix Isolated Polycyclic Aromatic Hydrocarbons. 1. PAHs Containing Two to Four Rings"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670319694946432","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Constrained Clar Formulas of Coronoid Hydrocarbons"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670320213264896","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670320321397632","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Theoretical study of geometries and 1H-chemical shifts of cycloarenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670321269598336","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Understanding the Nature of the CH···HC Interactions in Alkanes"}]},{"@id":"https://cir.nii.ac.jp/crid/1363951794259436288","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Recent Progress in Chemistry of Multiple Helicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1363951794496033792","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"One hundred years of helicene chemistry. Part 3: applications and properties of carbohelicenes"}]},{"@id":"https://cir.nii.ac.jp/crid/1363951794644240640","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Probing the accuracy and precision of Hirshfeld atom refinement with <i>HARt</i> interfaced with <i>Olex2</i>"}]},{"@id":"https://cir.nii.ac.jp/crid/1364233269976888960","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives"}]},{"@id":"https://cir.nii.ac.jp/crid/2050307417130044288","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Multiple helicenes featuring synthetic approaches and molecular structures"}]},{"@id":"https://cir.nii.ac.jp/crid/2051151842062069760","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Nonplanar aromatic hydrocarbons : design and synthesis of highly strained structures"}]},{"@id":"https://cir.nii.ac.jp/crid/2120870839717518336","@type":"OtherWorks","resourceType":"学術雑誌論文(journal article)","relationType":["isIdenticalTo"],"jpcoar:relatedTitle":[{"@value":"Unusually Short H⋅⋅⋅H Contacts in Intramolecularly Cyclized Helically Fused Anthracenes"}]}],"dataSourceIdentifier":[{"@type":"CROSSREF","@value":"10.1002/chem.202401627"},{"@type":"KAKEN","@value":"PRODUCT-24914995"},{"@type":"KAKEN","@value":"PRODUCT-25685501"},{"@type":"KAKEN","@value":"PRODUCT-25625939"},{"@type":"OPENAIRE","@value":"doi_________::8e1d2a75e16e60a8ce2d653d2a9ffa9c"},{"@type":"IRDB","@value":"oai:irdb.nii.ac.jp:00897:0006395239_isIdenticalTo_DOI_NNlJ4bFb37301fDCjjJFP6Qv0sc"},{"@type":"CROSSREF","@value":"10.1002/chem.202404348_references_DOI_Gvzkea9tOOFmmv1foUvtneSW4Px"}]}