Information card for entry 1552659

Structure parameters

• Formula: C19 H28 O7
• Calculated formula: C19 H28 O7
• SMILES: O[C@H]1[C@@H]2OC(=O)[C@@]3([C@@H]1C)CC[C@H]1C4=C([C@H](C[C@H](O)C1)C)C(=O)[C@H]2[C@H]34.O.O
• Title of publication: 17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.
• Authors of publication: Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 6
• Pages of publication: 1565 - 1575
• a: 18.8453 ± 0.0003 Å
• b: 10.1003 ± 0.0002 Å
• c: 9.7629 ± 0.0002 Å
• α: 90°
• β: 106.55 ± 0.001°
• γ: 90°
• Cell volume: 1781.31 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.96 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No