Information card for entry 1552662

Structure parameters

• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O[C@@]12[C@H]3[C@H]4OC(=O)[C@@]1([C@@H](C4)C)CCc1c2c(c(cc(=O)c1)C)C3
• 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: 10.0126 ± 0.0003 Å
• b: 11.8286 ± 0.0004 Å
• c: 12.3462 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1462.22 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0332
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No