Information card for entry 4129348

Structure parameters

• Common name: 20120034
• Formula: C19 H23 B Br N O
• Calculated formula: C19 H23 B Br N O
• SMILES: Brc1cc([C@@H]([BH2][N]2(CCCC2)C)C(=O)c2ccccc2)ccc1
• Title of publication: Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.
• Authors of publication: Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 16
• Pages of publication: 5268 - 5271
• a: 6.0489 ± 0.0002 Å
• b: 15.1101 ± 0.0006 Å
• c: 9.9467 ± 0.0004 Å
• α: 90°
• β: 95.299 ± 0.002°
• γ: 90°
• Cell volume: 905.24 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No