Information card for entry 2225759

Structure parameters

• Chemical name: Diphenyl[2-(2-pyridylaminomethyl)phenyl]phosphine oxide
• Formula: C24 H21 N2 O P
• Calculated formula: C24 H21 N2 O P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)c1c(cccc1)CNc1ncccc1
• Title of publication: Diphenyl[2-(2-pyridylaminomethyl)phenyl]phosphine oxide
• Authors of publication: Hernández-Ortega, Simón; Cuenu Cabeza, Fernando; Cabrera-Ortiz, Armando
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1181 - o1182
• a: 24.13 ± 0.003 Å
• b: 8.2397 ± 0.0009 Å
• c: 21.992 ± 0.002 Å
• α: 90°
• β: 109.108 ± 0.002°
• γ: 90°
• Cell volume: 4131.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0955
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes