Information card for entry 7158959

Structure parameters

• Formula: C20 H24 O7
• Calculated formula: C20 H24 O7
• SMILES: O1[C@]23[C@]45C[C@@H](O)[C@@]67[C@@H](C[C@H](OC7=O)[C@H]([C@@H]26)C[C@@H]3[C@]1([C@@H](O)[C@H](OC5=O)C4)C)C
• 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: 6.573 ± 0.0002 Å
• b: 14.9361 ± 0.0004 Å
• c: 8.6462 ± 0.0002 Å
• α: 90°
• β: 91.596 ± 0.001°
• γ: 90°
• Cell volume: 848.51 ± 0.04 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.97 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: 0.032
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No