Information card for entry 7129503

Structure parameters

• Formula: C16 H19 F3 N2 O2
• Calculated formula: C16 H19 F3 N2 O2
• Title of publication: Photoredox catalyzed C–H trifluoroethylamination of heteroarenes
• Authors of publication: Wang, Juan; Liu, Shuai; Huang, Yangen; Xu, Xiu-Hua; Qing, Feng-Ling
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.5525 ± 0.0015 Å
• b: 38.111 ± 0.005 Å
• c: 9.0256 ± 0.0012 Å
• α: 90°
• β: 105.355 ± 0.004°
• γ: 90°
• Cell volume: 3500.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1664
• Residual factor for significantly intense reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.348
• Weighted residual factors for all reflections included in the refinement: 0.3998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.414
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No