Information card for entry 1507680

Structure parameters

• Formula: C31 H31 Br N2 O7
• Calculated formula: C31 H31 Br N2 O7
• SMILES: Brc1cc2c(cc1)[C@](C(=O)N2C)(C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
• Title of publication: Synthesis of N-alkoxycarbonyl ketimines derived from isatins and their application in enantioselective synthesis of 3-aminooxindoles.
• Authors of publication: Yan, Wenjin; Wang, Dong; Feng, Jingchao; Li, Peng; Zhao, Depeng; Wang, Rui
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2512 - 2515
• a: 10.731 ± 0.017 Å
• b: 8.96 ± 0.014 Å
• c: 15.53 ± 0.02 Å
• α: 90°
• β: 97.637 ± 0.016°
• γ: 90°
• Cell volume: 1480 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1532
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No