Information card for entry 1557824

Structure parameters

• Formula: C20 H26 O10
• Calculated formula: C20 H26 O10
• SMILES: [C@H]1([C@H](C=C([C@@H]2C[C@@H]3[C@]45[C@@H]([C@@]12C)[C@@]([C@@H]([C@@]1([C@@]4([C@H](C(=O)O3)O)O)CO1)O)(O)OC5)C)O)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: 10.3686 ± 0.0003 Å
• b: 6.6338 ± 0.0002 Å
• c: 13.6339 ± 0.0004 Å
• α: 90°
• β: 103.943 ± 0.003°
• γ: 90°
• Cell volume: 910.15 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0521
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No