Information card for entry 4133797

Structure parameters

• Formula: C29 H39 F O5
• Calculated formula: C29 H39 F O5
• SMILES: Fc1ccc(cc1)COC[C@@H](C)/C=C(/C)CC[C@@]1(O)[C@H]([C@H](O)C#C)CC[C@@H]2[C@@H](C1)C(=O)OC2(C)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: 10.791 ± 0.0003 Å
• b: 20.3109 ± 0.0008 Å
• c: 26.9659 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5910.2 ± 0.3 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1077
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No