Information card for entry 4025616

Structure parameters

• Chemical name: 2,3,4,5-tetrafluoro-6-nitrobiphenyl
• Formula: C12 H5 F4 N O2
• Calculated formula: C12 H5 F4 N O2
• Title of publication: Palladium-Catalyzed C-F Activation of Polyfluoronitrobenzene Derivatives in Suzuki-Miyaura Coupling Reactions
• Authors of publication: Matthew R. Cargill; Graham Sandford; Andrezj J. Tadeusiak; Dmitrii S. Yufit; Judith A. K. Howard; Pinar Kilickiran; Gabrielle Nelles
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 5860 - 5866
• a: 7.6907 ± 0.0005 Å
• b: 11.4847 ± 0.0008 Å
• c: 11.9766 ± 0.0008 Å
• α: 90°
• β: 92.53 ± 0.02°
• γ: 90°
• Cell volume: 1056.81 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1236
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No