Information card for entry 1548733

Structure parameters

• Formula: C32 H37 N O12
• Calculated formula: C32 H37 N O12
• SMILES: O(C(=O)C)C[C@@]12[C@@]3(OC([C@@H]([C@H]3OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)c1cnccc1)(C)C)[C@H](C)CC[C@@H]2OC(=O)c1ccoc1
• Title of publication: Neuroprotective Dihydroagarofuran Sesquiterpene Derivatives from the Leaves of Tripterygium wilfordii
• Authors of publication: Chen, Fang-You; Li, Chuang-Jun; Ma, Jie; Zhou, Jian; Li, Li; Zhang, Zhao; Chen, Nai-Hong; Zhang, Dong-Ming
• Journal of publication: Journal of Natural Products
• Year of publication: 2018
• a: 10.527 ± 0.0015 Å
• b: 9.3108 ± 0.0005 Å
• c: 15.753 ± 0.002 Å
• α: 90°
• β: 102.012 ± 0.013°
• γ: 90°
• Cell volume: 1510.2 ± 0.3 ų
• Cell temperature: 106.4 K
• Ambient diffraction temperature: 106.4 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No