Information card for entry 1547052

Structure parameters

• Formula: C33 H44 O8
• Calculated formula: C33 H44 O8
• SMILES: O1[C@@]2(O)[C@@H](OC(=O)[C@@H](CC)C)[C@H](OC(=O)C)[C@]3([C@H](C(C)C)CC(=O)[C@@]4([C@@H]3[C@@H]1C[C@@]1(C4=CC[C@H]1c1cocc1)C)C)C2
• Title of publication: Walrobsins A and B, Two Anti-inflammatory Limonoids from Root Barks of Walsura robusta.
• Authors of publication: An, Fa-Liang; Sun, Dong-Mei; Li, Rui-Jun; Zhou, Miao-Miao; Yang, Ming-Hua; Yin, Yong; Kong, Ling-Yi; Luo, Jun
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4568 - 4571
• a: 9.434 ± 0.0001 Å
• b: 16.4028 ± 0.0001 Å
• c: 19.4128 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3004.01 ± 0.04 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No