Information card for entry 1548732

Structure parameters

• Formula: C33 H38 O12
• Calculated formula: C33 H38 O12
• SMILES: O(C(=O)c1ccoc1)[C@H]1[C@]2([C@@]3(OC([C@@H]([C@H]3OC(=O)C)[C@H]1O)(C)C)[C@@](O)(CC[C@@H]2OC(=O)/C=C/c1ccccc1)C)COC(=O)C
• 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: 9.6865 ± 0.0002 Å
• b: 11.9018 ± 0.0003 Å
• c: 13.746 ± 0.0004 Å
• α: 90°
• β: 104.952 ± 0.003°
• γ: 90°
• Cell volume: 1531.08 ± 0.07 ų
• Cell temperature: 103.2 K
• Ambient diffraction temperature: 103.2 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: 0.0365
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No