Information card for entry 1570345

Structure parameters

• Chemical name: fluoro(mesityl)(2,3,4,5,6-pentamethylphenyl)borane
• Formula: C20 H26 B F
• Calculated formula: C20 H26 B F
• SMILES: FB(c1c(c(c(c(c1C)C)C)C)C)c1c(cc(cc1C)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: 8.6399 ± 0.0004 Å
• b: 25.3455 ± 0.0011 Å
• c: 8.6121 ± 0.0003 Å
• α: 90°
• β: 114.716 ± 0.002°
• γ: 90°
• Cell volume: 1713.14 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0411
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No