Information card for entry 1570343

Structure parameters

• Chemical name: mesityl(1-naphthyl)(2,3,4,5,6-pentamethylphenyl)borane
• Formula: C30 H33 B
• Calculated formula: C30 H33 B
• SMILES: c1(c(c(c(c(c1C)C)C)C)C)B(c1c(cc(cc1C)C)C)c1cccc2ccccc12
• 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: 10.1157 ± 0.0003 Å
• b: 10.318 ± 0.0003 Å
• c: 12.9562 ± 0.0004 Å
• α: 91.817 ± 0.002°
• β: 104.952 ± 0.002°
• γ: 109.094 ± 0.002°
• Cell volume: 1224.6 ± 0.07 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2195
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0601
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No