Information card for entry 4133798

Structure parameters

• Formula: C20 H26 O5
• Calculated formula: C20 H26 O5
• SMILES: O=C1OC([C@@H]2[C@@H]1C[C@]1(OC(=O)O[C@H]([C@H]1CC2)C#C)CCC(=C)C)(C)C.O=C1OC([C@H]2[C@H]1C[C@@]1(OC(=O)O[C@@H]([C@@H]1CC2)C#C)CCC(=C)C)(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: 7.145 ± 0.0002 Å
• b: 11.7309 ± 0.0003 Å
• c: 12.9688 ± 0.0004 Å
• α: 91.043 ± 0.003°
• β: 100.782 ± 0.003°
• γ: 100.374 ± 0.003°
• Cell volume: 1048.85 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No