Information card for entry 7121955

Structure parameters

• Formula: C22 H20 F6 N2
• Calculated formula: C22 H20 F6 N2
• Title of publication: Csp³-H bond functionalization of amines via tunable iminium ions: divergent synthesis of trifluoromethylated arylamines.
• Authors of publication: Shi, Lou; Wang, Mingshan; Pan, Ling; Li, Yifei; Liu, Qun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 63
• Pages of publication: 8721 - 8724
• a: 9.6136 ± 0.0007 Å
• b: 15.5641 ± 0.0012 Å
• c: 13.7093 ± 0.0011 Å
• α: 90°
• β: 104.355 ± 0.002°
• γ: 90°
• Cell volume: 1987.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0921
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No