Information card for entry 7158958

Structure parameters

• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• SMILES: O1[C@@]23[C@@]4(O)[C@]5(CC[C@@]67[C@@H](C[C@H](OC7=O)[C@H]([C@@H]46)[C@H]13)C)C[C@@H](OC5=O)C=C2C
• 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: 7.8681 ± 0.0004 Å
• b: 11.4609 ± 0.0005 Å
• c: 18.4466 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1663.43 ± 0.14 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303.3 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: 0.0351
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No