Information card for entry 1573072

Structure parameters

• Formula: C32 H20 F18 N2
• Calculated formula: C32 H20 F18.0005 N2
• Title of publication: Direct synthesis of N-perfluoro-tert-butyl secondary amines from N-trifluoromethyl secondary amines
• Authors of publication: Wang, leibing; Feng, Zhongyu; Luo, Zhen; Guo, Zihao; Wang , Jieping; Yi, WenBin
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 37.282 ± 0.002 Å
• b: 7.7234 ± 0.0005 Å
• c: 10.7769 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3103.1 ± 0.3 ų
• Cell temperature: 193.15 K
• Ambient diffraction temperature: 193.15 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No