Information card for entry 2227138

Structure parameters

• Common name: Epoxycytochalasin H
• Chemical name: 21-acetoxy-18,21-dihydroxy-5,6,16,18-tetramethyl-10-phenyl-6,7- epoxy-[11]cytochalasa-13,19-dien-1-one methanol solvate
• Formula: C31 H43 N O6
• Calculated formula: C31 H43 N O6
• SMILES: O1[C@@]2([C@H]([C@H]3[C@@H](NC(=O)[C@]43[C@H]([C@H]12)C=CC[C@@H](C[C@@](O)(C=C[C@H]4OC(=O)C)C)C)Cc1ccccc1)C)C.OC
• Title of publication: Epoxycytochalasin H methanol solvate
• Authors of publication: Li, Li-mei; Liu, Yang; Yang, Tai; Yu, Kai-bei; Zou, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2176 - o2177
• a: 8.367 ± 0.002 Å
• b: 8.5937 ± 0.0018 Å
• c: 10.917 ± 0.003 Å
• α: 75.312 ± 0.009°
• β: 87.779 ± 0.01°
• γ: 68.15 ± 0.008°
• Cell volume: 703.4 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes