Information card for entry 2209172

Structure parameters

• Chemical name: Bis(2-methylphenylamino)phenylborane
• Formula: C20 H21 B N2
• Calculated formula: C20 H21 B N2
• SMILES: B(Nc1c(cccc1)C)(Nc1c(cccc1)C)c1ccccc1
• Title of publication: Bis(2-methylphenylamino)phenylborane
• Authors of publication: Tong, Hong-Bo; Liu, Dian-Sheng; Zhou, Mei-Su
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2421 - o2422
• a: 9.607 ± 0.003 Å
• b: 17.454 ± 0.005 Å
• c: 10.307 ± 0.003 Å
• α: 90°
• β: 93.272 ± 0.005°
• γ: 90°
• Cell volume: 1725.5 ± 0.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0581
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes