Information card for entry 2218911

Structure parameters

• Common name: Schizandrol A
• Chemical name: 1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-\ tetrahydrodibenzo[a,c]cycloocten-6-ol
• Formula: C24 H32 O7
• Calculated formula: C24 H32 O7
• SMILES: O(c1c(OC)c(OC)c2c(c1)C[C@@H]([C@](O)(C)Cc1c2c(OC)c(OC)c(OC)c1)C)C
• Title of publication: Schizandrol A: a lignan from <i>Schisandra chinensis</i>
• Authors of publication: Zhao, Liang; Yu, Xiaoling; Chen, Chungang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1514
• a: 16.084 ± 0.003 Å
• b: 18.107 ± 0.004 Å
• c: 23.229 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6765 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes