Information card for entry 7156808

Structure parameters

• Formula: C11 H11 Cl F3 N O
• Calculated formula: C11 H11 Cl F3 N O
• Title of publication: Electrochemical vicinal aminotrifluoromethylation of alkenes: high regioselective acquisition of β-trifluoromethylamines.
• Authors of publication: Huang, Yubing; Hong, Huanliang; Zou, Zirong; Liao, Chunshu; Lu, Jingjun; Qin, Yongwei; Li, Yibiao; Chen, Lu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 5014 - 5020
• a: 14.4474 ± 0.0019 Å
• b: 9.1512 ± 0.001 Å
• c: 9.2001 ± 0.0012 Å
• α: 90°
• β: 103.529 ± 0.013°
• γ: 90°
• Cell volume: 1182.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No