Information card for entry 1504071

Structure parameters

• Formula: C17 H22 Br N3 O5
• Calculated formula: C17 H22 Br N3 O5
• SMILES: Brc1cc2c(NC(=O)[C@]2(N(NC(=O)OC(C)C)C(=O)OC(C)C)C)cc1
• Title of publication: Highly enantioselective and organocatalytic alpha-amination of 2-oxindoles.
• Authors of publication: Cheng, Liang; Liu, Li; Wang, Dong; Chen, Yong-Jun
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 3874 - 3877
• a: 21.619 ± 0.003 Å
• b: 21.619 ± 0.003 Å
• c: 12.828 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5192.3 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No