Information card for entry 4127906

Structure parameters

• Formula: C22 H17 Br F3 N O
• Calculated formula: C22 H17 Br F3 N O
• SMILES: Brc1ccc([C@](C(=O)Nc2ccccc2)(CC(F)(F)F)c2ccccc2)cc1
• Title of publication: Enantioselective Construction of Quaternary All-Carbon Centers via Copper-Catalyzed Arylation of Tertiary Carbon-Centered Radicals.
• Authors of publication: Wu, Lianqian; Wang, Fei; Chen, Pinhong; Liu, Guosheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 5
• Pages of publication: 1887 - 1892
• a: 10.0143 ± 0.0003 Å
• b: 10.1957 ± 0.0003 Å
• c: 11.7671 ± 0.0003 Å
• α: 107.939 ± 0.001°
• β: 92.935 ± 0.001°
• γ: 116.211 ± 0.001°
• Cell volume: 1000.53 ± 0.05 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303.06 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No