Information card for entry 1570336

Structure parameters

• Chemical name: difluoro(2,3,4,5,6-pentamethylphenyl)borane
• Formula: C11 H15 B F2
• Calculated formula: C11 H15 B F2
• SMILES: FB(F)c1c(c(c(c(c1C)C)C)C)C
• Title of publication: Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.
• Authors of publication: Turnbull, Douglas; Légaré, Marc-André
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 48
• Pages of publication: 14256 - 14261
• a: 6.0599 ± 0.0004 Å
• b: 9.1583 ± 0.0006 Å
• c: 10.5791 ± 0.0007 Å
• α: 66.23 ± 0.004°
• β: 84.512 ± 0.004°
• γ: 72.336 ± 0.004°
• Cell volume: 511.75 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0585
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0825
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No