Information card for entry 1548278

Structure parameters

• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: O1[C@@H]2[C@@H]3[C@@H]4[C@@]5([C@@H]([C@H]2O[C@H]3c2c4c(CC5)cc(O)c2C)C)C1=O
• 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: 6.618 ± 0.0001 Å
• b: 11.0447 ± 0.0001 Å
• c: 9.5463 ± 0.0001 Å
• α: 90°
• β: 97.521 ± 0.001°
• γ: 90°
• Cell volume: 691.773 ± 0.014 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No