Information card for entry 7158960

Structure parameters

• Formula: C20 H30 O9
• Calculated formula: C20 H30 O9
• SMILES: O[C@H]1[C@@H]2OC(=O)[C@@]3([C@@H]1C)CC[C@@]14[C@H]5[C@@H]3[C@@H]2CC5=C([C@@H](O)[C@H](OC4=O)C1)C.O.O.O
• Title of publication: Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina
• Authors of publication: Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 8.4147 ± 0.0002 Å
• b: 10.9726 ± 0.0002 Å
• c: 21.059 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1944.4 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.97 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: 0.0322
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No