Information card for entry 7117636

Structure parameters

• Formula: C24 H22 F3 N O2
• Calculated formula: C24 H22 F3 N O2
• Title of publication: The copper-catalyzed synthesis of beta-trifluoromethylated acrylonitriles and trifluoromethyl-substituted 2H-azirines
• Authors of publication: Yu-Tao He; Qiang Wang; Jiahui Zhao; Xue-Yuan Liu; Peng-Fei Xu; Yong-Min Liang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13209
• a: 33.4249 ± 0.0017 Å
• b: 6.2204 ± 0.0003 Å
• c: 20.9937 ± 0.0009 Å
• α: 90°
• β: 96.885 ± 0.004°
• γ: 90°
• Cell volume: 4333.5 ± 0.4 ų
• Cell temperature: 293.6 ± 0.2 K
• Ambient diffraction temperature: 293.6 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No