Information card for entry 7061187

Structure parameters

• Common name: HQT3
• Chemical name: Tripterester C
• Formula: C30 H38 O13
• Calculated formula: C30 H38 O13
• SMILES: O(C(=O)c1ccccc1)[C@@H]1[C@@]2([C@@H](OC(=O)C)[C@@H](OC(=O)C)C[C@](O)([C@@]32OC([C@H]([C@@H]1OC(=O)C)[C@H]3O)(C)C)C)COC(=O)C
• Title of publication: Nine new dihydro-β-agarofuran sesquiterpene polyesters from the leaves of Tripterygium wilfordii
• Authors of publication: Zhou, Le; Bai, Ming; He, Qing-Jun; Hou, Zi-Lin; Lu, Li-Wei; Wang, Jie; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 2423 - 2430
• a: 9.474 ± 0.0007 Å
• b: 14.0726 ± 0.001 Å
• c: 11.5916 ± 0.0008 Å
• α: 90°
• β: 103.893 ± 0.005°
• γ: 90°
• Cell volume: 1500.23 ± 0.19 ų
• Cell temperature: 229 ± 2 K
• Ambient diffraction temperature: 229 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No