Information card for entry 2202859

Structure parameters

• Common name: swietenine
• Chemical name: swietenine
• Formula: C32 H40 O9
• Calculated formula: C32 H40 O9
• SMILES: C1(=O)[C@@H]2[C@H](C([C@H]([C@H](C(=O)OC)O)[C@]1([C@@H]1C(=C2)[C@H]2[C@@](CC1)([C@H](c1cocc1)OC(=O)C2)C)C)(C)C)OC(=O)/C(=C/C)C
• Title of publication: Swietenine
• Authors of publication: K. Anand Solomon; R. Malathi; S. S. Rajan; S. Narasimhan; M. Nethaji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1519 - o1521
• a: 9.866 ± 0.003 Å
• b: 16.092 ± 0.005 Å
• c: 18.392 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2920 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0526
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes