Information card for entry 2226606

Structure parameters

• Common name: 4-Methylphenyl <i>N</i>,<i>N'</i>-bis(4-methylphenyl)phosphorodiamidate
• Chemical name: <i>p</i>-Tolyl bis(<i>o</i>-tolylamido)phosphinate
• Formula: C21 H23 N2 O2 P
• Calculated formula: C21 H23 N2 O2 P
• SMILES: c1(ccccc1C)NP(=O)(Nc1ccccc1C)Oc1ccc(cc1)C
• Title of publication: <i>p</i>-Tolyl bis(<i>o</i>-tolylamido)phosphinate
• Authors of publication: Sabbaghi, Fahimeh; Mancilla Percino, Teresa; Pourayoubi, Mehrdad; Leyva, Marco A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1755
• a: 12.157 ± 0.003 Å
• b: 8.978 ± 0.002 Å
• c: 18.08 ± 0.005 Å
• α: 90°
• β: 101.569 ± 0.001°
• γ: 90°
• Cell volume: 1933.3 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes