Information card for entry 1545693

Structure parameters

• Formula: C34 H37 N O11
• Calculated formula: C34 H37 N O11
• SMILES: n1cc(C(=O)O[C@@H]2[C@H]3C(=O)[C@@]([C@@H]4[C@]2(C)[C@H](OC4=O)C(=O)OC)([C@@H]2C(=C3)[C@H]3[C@@](CC2)([C@@H](OC(=O)C3)c2cocc2)C)C)ccc1.CO
• Title of publication: Triconoids A‒D, Four Limonoids Possess Two Rearranged Carbon Skeletons from Trichilia connaroides
• Authors of publication: Wang, Guo-Cai; Fan, Yao-Yue; Shyaula, Sajan L.; Yue, Jian-Min
• Journal of publication: Organic Letters
• Year of publication: 2017
• a: 8.2479 ± 0.0003 Å
• b: 13.1646 ± 0.0004 Å
• c: 28.6827 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3114.38 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.05
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No