Information card for entry 4127907

Structure parameters

• Formula: C17 H15 F4 N O
• Calculated formula: C17 H15 F4 N O
• SMILES: Fc1c([C@](CC(F)(F)F)(C)C(=O)Nc2ccccc2)cccc1
• 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: 10.2427 ± 0.0001 Å
• b: 17.1382 ± 0.0002 Å
• c: 17.4927 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3070.69 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0495
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No