Information card for entry 1505807

Structure parameters

• Formula: C30 H40 O13
• Calculated formula: C30 H40 O13
• SMILES: O([C@@]12[C@H]3OC(=O)C4=CC[C@H](OC(=O)C)[C@]([C@H]34)([C@@H](OC(=O)C)[C@H](OC(=O)C)C(=C([C@@H](OC(=O)C)C1)C)C2(C)C)C)C(=O)C.O
• Title of publication: Taxoids from Taxus chinensis.
• Authors of publication: Zhao, Yu; Wang, Fu-Sheng; Peng, Li-Yan; Li, Xiao-Li; Xu, Gang; Luo, Xiao-Xin; Lu, Yang; Wu, Li; Zheng, Qi-Tai; Zhao, Qin-Shi
• Journal of publication: Journal of natural products
• Year of publication: 2006
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1813 - 1815
• a: 8.978 ± 0.0013 Å
• b: 8.978 ± 0.0013 Å
• c: 33.622 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2347 ± 0.5 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 3
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No