Information card for entry 7123722

Structure parameters

• Formula: C21 H22 F3 N
• Calculated formula: C21 H22 F3 N
• Title of publication: One-Pot Synthesis of Trifluoromethyl Amines and Perfluoroalkyl Amines with CF3SO2Na and RfSO2Na
• Authors of publication: Liang, Shuaishuai; Wei, Jingjing; Jiang, Lvqi; Liu, Jie; Mumtaz, Yasir; Yi, Wen-bin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.815 ± 0.004 Å
• b: 22.04 ± 0.01 Å
• c: 9.233 ± 0.004 Å
• α: 90°
• β: 105.538 ± 0.009°
• γ: 90°
• Cell volume: 1728.3 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1514
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No