Information card for entry 4133800

Structure parameters

• Formula: C24 H36 O7
• Calculated formula: C24 H36 O7
• SMILES: O[C@]12CC[C@]3([C@@H](C(OC(=O)C)=C[C@@H]1CC[C@@H]1[C@](O)(C2)C(=O)OC1(C)C)[C@H]3[C@@H](CO)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: 8.17331 ± 0.00019 Å
• b: 10.2803 ± 0.0002 Å
• c: 13.2668 ± 0.0003 Å
• α: 90°
• β: 96.454 ± 0.002°
• γ: 90°
• Cell volume: 1107.67 ± 0.04 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No