Structure of (+)-Epigriseofulvin

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The crystal and molecular structure of (+)-epigriseofulvin were elucidated by X-ray structure analysis. The crystal belongs to a triclinic space group P1,with the unit cell parameters of a=11.718 (4), b=9.870 (3) Å, α=103.49 (3), β=102.38 (3), γ=96.26 (3)°, V=1061 (1) Å^3. The unit cell contains two crystallographically independent (+)-epigriseofulvin molecules and two chloroform molecules. The structure was solved by the direct method and refined to an R-value of 0.093 for 3971 non-zero reflections. No significant conformational differences between the two molecules were observed. The cyclohexenone rings take half-chair conformations with planar conjugated enone systems.

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