Information card for entry 2007855

Structure parameters

• Chemical name: (1-Methylimidazole-N^3^)triphenylboron
• Formula: C22 H21 B N2
• Calculated formula: C22 H21 B N2
• SMILES: [B](c1ccccc1)(c1ccccc1)(c1ccccc1)[n]1cn(cc1)C
• Title of publication: (1-Methylimidazole-<i>N</i>^3^)triphenylboron
• Authors of publication: Bélanger, Suzanne; Beauchamp, André L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: IUC9800057
• a: 15.096 ± 0.004 Å
• b: 7.329 ± 0.002 Å
• c: 16.176 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1789.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections: 0.95
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes