Information card for entry 7013542

Structure parameters

• Common name: Tris-(2,4,bis(trifluoromethyl)phenyl) borane
• Chemical name: Tris-(2,4,bis(trifluoromethyl)phenyl) borane
• Formula: C24 H9 B F18
• Calculated formula: C24 H9 B F18
• SMILES: B(c1c(cc(cc1)C(F)(F)F)C(F)(F)F)(c1c(cc(cc1)C(F)(F)F)C(F)(F)F)c1c(cc(cc1)C(F)(F)F)C(F)(F)F
• 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: 10.1795 ± 0.0007 Å
• b: 11.0533 ± 0.0008 Å
• c: 11.4719 ± 0.0008 Å
• α: 94.944 ± 0.001°
• β: 108.362 ± 0.001°
• γ: 94.549 ± 0.001°
• Cell volume: 1212.75 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No