Information card for entry 2020415

Structure parameters

• Chemical name: [3,5-Bis(trifluoromethyl)phenyl]bis[2-(trifluoromethyl)phenyl]borane
• Formula: C22 H11 B F12
• Calculated formula: C22 H11 B F12
• Title of publication: Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes
• Authors of publication: Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 189 - 197
• a: 8.3748 ± 0.0006 Å
• b: 18.2499 ± 0.0009 Å
• c: 27.5695 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4213.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes