Information card for entry 7013540

Structure parameters

• Common name: Bis-(2,4,6-tris-(trifluoromethyl)-phenyl)-boronic acid
• Chemical name: Bis-(2,4,6-tris-(trifluoromethyl)-phenyl)-boronic acid
• Formula: C18 H5 B F18 O
• Calculated formula: C18 H5 B F18.006 O
• 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: 9.1587 ± 0.0003 Å
• b: 10.1298 ± 0.0003 Å
• c: 12.52 ± 0.0004 Å
• α: 112.57 ± 0.001°
• β: 99.953 ± 0.001°
• γ: 102.576 ± 0.001°
• Cell volume: 1003.6 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No