Information card for entry 1547051

Structure parameters

• Formula: C33 H42 O8
• Calculated formula: C33 H42 O8
• SMILES: O1[C@@H]2[C@@H]3[C@@]4([C@@H](OC(=O)C)[C@H](OC(=O)C(=C\C)\C)[C@@]1(O)C4)[C@H](C(C)C)CC(=O)[C@]3(C1=CC[C@H]([C@]1(C)C2)c1ccoc1)C
• 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: 9.5408 ± 0.0001 Å
• b: 16.3122 ± 0.0001 Å
• c: 18.8674 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2936.36 ± 0.05 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No