Information card for entry 4133799

Structure parameters

• Formula: C29 H40 O9
• Calculated formula: C29 H40 O9
• SMILES: O1C(=O)C(=C[C@H]1[C@@H](O)[C@@H](C)[C@@H]1[C@H]2[C@]1(C)CC[C@@]1(O)[C@H](C(=O)[C@@H]2O)CC[C@@H]2[C@]3(OC(=O)C[C@H]3OC2(C)C)C1)C
• Title of publication: Asymmetric Total Synthesis of Pre-schisanartanin C.
• Authors of publication: Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 9.3439 ± 0.0002 Å
• b: 11.9039 ± 0.0003 Å
• c: 23.5267 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2616.85 ± 0.11 ų
• Cell temperature: 179.97 ± 0.14 K
• Ambient diffraction temperature: 179.97 ± 0.14 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: 0.046
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No