Information card for entry 2232764

Structure parameters

• Chemical name: <i>N</i>-Benzyl-<i>P</i>-(2-ethylphenyl)-<i>P</i>-phenylphosphinic amide
• Formula: C21 H22 N O P
• Calculated formula: C21 H22 N O P
• SMILES: c1(ccccc1)CNP(=O)(c1ccccc1)c1ccccc1CC
• Title of publication: <i>N</i>-Benzyl-<i>P</i>-(2-ethylphenyl)-<i>P</i>-phenylphosphinic amide
• Authors of publication: Kinfe, Henok H.; Hamese, Augustine; Hughes, Tanya; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3392
• a: 12.9259 ± 0.0003 Å
• b: 15.7098 ± 0.0003 Å
• c: 9.1007 ± 0.0002 Å
• α: 90°
• β: 107.578 ± 0.001°
• γ: 90°
• Cell volume: 1761.73 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes