Information card for entry 1553750

Structure parameters

• Formula: C26 H31 N3 O6
• Calculated formula: C26 H31 N3 O6
• SMILES: O=C(N1c2ccccc2C(=O)[C@]1(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1ccccc1)C
• Title of publication: Asymmetric amination of 2-substituted indolin-3-ones catalyzed by natural cinchona alkaloids
• Authors of publication: Guo, Jing; Lin, Zi-Hui; Chen, Kai-Bin; Xie, Ying; Chan, Albert S. C.; Weng, Jiang; Lu, Gui
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 1400
• a: 9.0047 ± 0.0003 Å
• b: 9.2247 ± 0.0003 Å
• c: 9.4826 ± 0.0003 Å
• α: 109.875 ± 0.003°
• β: 108.593 ± 0.003°
• γ: 107.103 ± 0.003°
• Cell volume: 626.45 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0608
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No