Information card for entry 1552663

Structure parameters

• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O=C1O[C@@H]2[C@@H]3[C@@H]4[C@]1([C@@H](C2)C)CCc1c4c(c(cc(=O)c1)C)[C@H]3O
• 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: 7.095 ± 0.0002 Å
• b: 9.6876 ± 0.0002 Å
• c: 22.3117 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1533.56 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0345
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No