Information card for entry 1552593

Structure parameters

• Common name: HQT59
• Formula: C32 H40 O13
• Calculated formula: C32 H40 O13
• SMILES: O(C(=O)C)[C@@H]1[C@@H](OC(=O)C)[C@@]2([C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](OC(=O)C)C[C@@](O)(C)[C@@]32OC(C)(C)[C@H]1[C@H]3O)COC(=O)C
• Title of publication: Tripterfordins A-O, Dihydro-β-agarofuran Sesquiterpenoids from the Leaves of <i>Tripterygium wilfordii</i>.
• Authors of publication: Zhou, Le; He, Qing-Jun; Lu, Li-Wei; Zhao, Feng; Zhang, Yan; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 10
• Pages of publication: 2696 - 2706
• a: 9.2167 ± 0.0003 Å
• b: 12.1536 ± 0.0004 Å
• c: 28.4981 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3192.25 ± 0.17 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• 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: 0.034
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No