Information card for entry 1549848

Structure parameters

• Formula: C23 H22 Br N O4
• Calculated formula: C23 H22 Br N O4
• SMILES: Brc1ccc(cc1)NC[C@](C(=O)c1ccc(cc1)OC)(c1ccc(cc1)OC)O
• Title of publication: Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.
• Authors of publication: Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 42
• Pages of publication: 8094 - 8098
• a: 8.3737 ± 0.0003 Å
• b: 10.0127 ± 0.0004 Å
• c: 24.658 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2067.41 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No