Information card for entry 1557823

Structure parameters

• Formula: C29 H37 Cl3 O9
• Calculated formula: C29 H37 Cl3 O9
• SMILES: C1(=O)C=C[C@]([C@@H]2C[C@@H]3[C@@]4([C@@H]([C@@]12C)[C@@H](C[C@](C4=CC(=O)O3)([C@@H]1[C@@H](CO)CC(=O)O1)C)OC(=O)C)C)(CO)C.ClC(Cl)Cl
• 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: 10.2039 ± 0.0002 Å
• b: 13.7078 ± 0.0005 Å
• c: 24.7447 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3461.12 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No