Information card for entry 1542269

Structure parameters

• Formula: C29 H40 O11
• Calculated formula: C29 H40 O11
• SMILES: O1[C@H]2[C@@H](O)[C@@H](O)C([C@H](CC(=O)OC)[C@]2(C(=O)[C@@]21C(=C([C@@]([C@@H]2O)([C@H](OC)c1cocc1)C)CC(=O)OC)C)C)(C)C
• Title of publication: Cipacinoids A-D, Four Limonoids with Spirocyclic Skeletons from Cipadessa cinerascens.
• Authors of publication: Yu, Jin-Hai; Liu, Qun-Fang; Sheng, Li; Wang, Guo-Cai; Li, Jia; Yue, Jian-Min
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 444 - 447
• a: 8.7852 ± 0.0001 Å
• b: 14.5469 ± 0.0002 Å
• c: 11.599 ± 0.0001 Å
• α: 90°
• β: 110.9°
• γ: 90°
• Cell volume: 1384.79 ± 0.03 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0262
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No