Information card for entry 1557821

Structure parameters

• Formula: C20 H28 O8
• Calculated formula: C20 H28 O8
• SMILES: [C@H]1(C(=O)C[C@H]([C@@H]2C[C@@]3([C@@]4([C@@H]([C@@]12C)[C@H]([C@H]1[C@@H]([C@@]4([C@H](C(=O)O1)O3)O)C)O)C)O)C)O
• Title of publication: Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects
• Authors of publication: Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 7.2655 ± 0.0001 Å
• b: 10.1927 ± 0.0001 Å
• c: 24.3238 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1801.3 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0318
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No