Information card for entry 2020417

Structure parameters

• Chemical name: [2,6-Bis(trifluoromethyl)phenyl]bis[3,5-bis(trifluoromethyl)phenyl]borane
• Formula: C24 H9 B F18
• Calculated formula: C24 H9 B F18
• 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: 10.8257 ± 0.0011 Å
• b: 11.4704 ± 0.0013 Å
• c: 12.0198 ± 0.0014 Å
• α: 117.067 ± 0.008°
• β: 101.774 ± 0.009°
• γ: 100.795 ± 0.009°
• Cell volume: 1232.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes