Information card for entry 2211005

Structure parameters

• Chemical name: N-(1-Phenyl-1,2-dihydro-2-pyridyl)pyridin-2-amine tetraphenylborate
• Formula: C40 H34 B N3
• Calculated formula: C40 H34 B N3
• SMILES: n1ccccc1Nc1[n+](cccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-(1-Phenyl-1,2-dihydro-2-pyridyl)pyridin-2-amine tetraphenylborate
• Authors of publication: Youngme, Sujittra; Wannarit, Nanthawat; Chaichit, Narongsak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5265 - o5267
• a: 9.0635 ± 0.0002 Å
• b: 16.7776 ± 0.0001 Å
• c: 20.8156 ± 0.0004 Å
• α: 90°
• β: 97.096 ± 0.001°
• γ: 90°
• Cell volume: 3141.05 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes