Information card for entry 1570335

Structure parameters

• Chemical name: 2,5-bis(difluoroboryl)-1,4-dimethylbenzene
• Formula: C8 H8 B2 F4
• Calculated formula: C8 H8 B2 F4
• 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: 6.5423 ± 0.0005 Å
• b: 4.7676 ± 0.0003 Å
• c: 14.5152 ± 0.0012 Å
• α: 90°
• β: 102.811 ± 0.005°
• γ: 90°
• Cell volume: 441.47 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0447
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1129
• Diffraction radiation wavelength: 1.3418 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No