Information card for entry 1545412

Structure parameters

• Formula: C19 H22 O6
• Calculated formula: C19 H22 O6
• SMILES: O[C@H]1[C@@H]2OC(=O)[C@@]3([C@@H]1C)CCc1c4[C@]3(O)[C@@H]2Cc4c(cc(=O)c1)C.O
• Title of publication: Diterpenoids and Lignans from Cephalotaxus fortunei.
• Authors of publication: Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 356 - 362
• a: 10.888 ± 0.0002 Å
• b: 15.8264 ± 0.0002 Å
• c: 9.5461 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1644.96 ± 0.05 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No