Information card for entry 2231586

Structure parameters

• Chemical name: <i>rac</i>-Phenyl (benzylamido)(<i>p</i>-tolylamido)phosphinate
• Formula: C20 H21 N2 O2 P
• Calculated formula: C20 H21 N2 O2 P
• SMILES: P(=O)(Oc1ccccc1)(NCc1ccccc1)Nc1ccc(cc1)C
• Title of publication: <i>rac</i>-Phenyl (benzylamido)(<i>p</i>-tolylamido)phosphinate
• Authors of publication: Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Nečas, Marek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2523
• a: 9.6986 ± 0.0005 Å
• b: 13.0751 ± 0.0006 Å
• c: 14.3446 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1819.04 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes