Information card for entry 7220104

Structure parameters

• Formula: C31 H38 O11
• Calculated formula: C31 H38 O11
• SMILES: O([C@H]1[C@H]2C(=C[C@@H]3C(=O)[C@]2([C@@H](CC(=O)OC)C(C)([C@@H]3OC(=O)C)C)C)[C@@]2(O)[C@@](C1)([C@@H](OC(=O)C2)c1ccoc1)C)C(=O)C
• Title of publication: Mexicanolide limonoids with in vitro neuroprotective activities from seeds of Khaya senegalensis
• Authors of publication: Li, Hui; Li, Yi; Wang, Xiao-Bing; Pang, Tao; Zhang, luyong; Luo, Jun; Kong, Ling-Yi
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.826 ± 0.0001 Å
• b: 14.5902 ± 0.0002 Å
• c: 10.3473 ± 0.0001 Å
• α: 90°
• β: 99.443 ± 0.001°
• γ: 90°
• Cell volume: 1463.32 ± 0.03 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 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: 0.037
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No