Information card for entry 7013543

Structure parameters

• Common name: (2,6‒Bis-trifluoromethyl-phenyl)-boronic acid
• Chemical name: (2,6‒Bis-trifluoromethyl-phenyl)-boronic acid
• Formula: C8 H5 B F6 O2
• Calculated formula: C8 H5 B F6 O2
• Title of publication: Synthesis and characterisation of some new boron compounds containing the 2,4,6-(CF3)3C6H2(fluoromes = Ar), 2,6-(CF3)2C6H3(fluoroxyl = Ar'), or 2,4-(CF3)2C6H3(Ar″) ligands
• Authors of publication: Stéphanie M. Cornet; Keith B. Dillon; Christopher D. Entwistle; Mark A. Fox; Andrés E. Goeta; Helen P. Goodwin; Todd B. Marder; Amber L. Thompson
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4395 - 4405
• a: 14.0859 ± 0.0014 Å
• b: 14.462 ± 0.0014 Å
• c: 5.0028 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1019.12 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No