Information card for entry 2201745

Structure parameters

• Chemical name: {[N-Benzyl-N-(2-pyridyl)amino]methylene}diphenylphosphine oxide
• Formula: C25 H23 N2 O P
• Calculated formula: C25 H23 N2 O P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)CN(c1ncccc1)Cc1ccccc1
• Title of publication: {[<i>N</i>-Benzyl-<i>N</i>-(2-pyridyl)amino]methylene}diphenylphosphine oxide
• Authors of publication: Cui Da-Jun; Zeng Xianshun; Leng Xuebing; Xu Fengbo; Zhang Zhengzhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o679 - o680
• a: 9.256 ± 0.003 Å
• b: 14.834 ± 0.005 Å
• c: 15.957 ± 0.005 Å
• α: 90°
• β: 104.979 ± 0.006°
• γ: 90°
• Cell volume: 2116.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1055
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes