Information card for entry 4111189

Structure parameters

• Chemical name: 4-trifluoromethyl-2,3,5,6-tetrafluoro-biphenyl
• Formula: C6.5 H2.5 F3.5
• Calculated formula: C6.5 H2.5 F3.5
• Title of publication: Catalytic C-C Bond Formation Accomplished by Selective C-F Activation of Perfluorinated Arenes
• Authors of publication: Thomas Schaub; Marc Backes; Udo Radius
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15964 - 15965
• a: 5.858 ± 0.0012 Å
• b: 23.938 ± 0.005 Å
• c: 7.8425 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1099.7 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No