Information card for entry 7158962

Structure parameters

• Formula: C20 H24 O7
• Calculated formula: C20 H24 O7
• SMILES: O[C@@]12[C@H]3OC(=O)[C@@]4([C@@H](C3)C)CC[C@@]35[C@@]6(O[C@@]([C@H]6C2)([C@@H](O)[C@H](OC5=O)C3)C)[C@H]14
• 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: 6.7694 ± 0.0002 Å
• b: 14.5049 ± 0.0004 Å
• c: 16.9906 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1668.3 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.02 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: 0.0266
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No