Information card for entry 1548281

Structure parameters

• Formula: C19 H18 O4
• Calculated formula: C19 H18 O4
• SMILES: O[C@@]12[C@H]3[C@H]4OC(=O)[C@@]1([C@@H](C4)C)C=Cc1c2c(c(cc(=O)c1)C)C3
• Title of publication: Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.
• Authors of publication: Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 12
• Pages of publication: 3159 - 3166
• a: 10.5798 ± 0.0002 Å
• b: 11.3154 ± 0.0002 Å
• c: 12.4063 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1485.22 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 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: 0.038
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No