Information card for entry 2020418

Structure parameters

• Chemical name: [3,5-Bis(trifluoromethyl)phenyl]dimesitylborane
• Formula: C26 H25 B F6
• Calculated formula: C26 H25 B F6
• 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: 8.35 ± 0.0012 Å
• b: 34.37 ± 0.004 Å
• c: 8.5512 ± 0.0013 Å
• α: 90°
• β: 107.062 ± 0.011°
• γ: 90°
• Cell volume: 2346.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes