Information card for entry 7013544

Structure parameters

• Common name: Bis-(2,4,6-trimethyl-phenyl)-fluoroborane
• Chemical name: Bis-(2,4,6-trimethyl-phenyl)-fluoroborane
• Formula: C18 H22 B F
• Calculated formula: C18 H22 B F
• SMILES: B(F)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis and characterisation of some new boron compounds containing the 2,4,6-(CF3)3C6H2(fluoromes = Ar), 2,6-(CF3)2C6H3(fluoroxyl = Ar'), or 2,4-(CF3)2C6H3(Ar″) ligands
• Authors of publication: Stéphanie M. Cornet; Keith B. Dillon; Christopher D. Entwistle; Mark A. Fox; Andrés E. Goeta; Helen P. Goodwin; Todd B. Marder; Amber L. Thompson
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4395 - 4405
• a: 8.208 ± 0.0005 Å
• b: 7.8003 ± 0.0005 Å
• c: 24.0891 ± 0.0016 Å
• α: 90°
• β: 90.338 ± 0.001°
• γ: 90°
• Cell volume: 1542.27 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No