Information card for entry 1558162

Structure parameters

• Formula: C32 H44 O10
• Calculated formula: C32 H44 O10
• SMILES: O1[C@H]2[C@@H](O)[C@H](OC(=O)[C@@H](CC)C)C([C@H](CC(=O)OC)[C@]2([C@@H]2C(=C)[C@]31[C@@](C[C@H]2O)([C@@H](OC(=O)C3)c1cocc1)C)C)(C)C
• Title of publication: Limonoids from <i>Cipadessa baccifera</i>.
• Authors of publication: Yu, Jin-Hai; Zhang, Hua; Zhou, Bin; Zimbres, Flavia M.; Dalal, Seema; Liu, Qun-Fang; Cassera, Maria B.; Yue, Jian-Min
• Journal of publication: Journal of natural products
• Year of publication: 2020
• a: 8.4907 ± 0.0001 Å
• b: 9.263 ± 0.0001 Å
• c: 38.6476 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3039.61 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0429
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No