Information card for entry 2200851

Structure parameters

• Chemical name: N,N-Dimethyl-N',N''-bis(4-methylphenyl)phosphoramidate
• Formula: C16 H22 N3 O P
• Calculated formula: C16 H22 N3 O P
• SMILES: c1(ccc(cc1)C)NP(=O)(N(C)C)Nc1ccc(cc1)C
• Title of publication: <i>N,N</i>-Dimethyl-<i>N</i>',<i>N</i>''-bis(4-methylphenyl)phosphoramidate
• Authors of publication: Gholivand, Khodayar; Tadjarodi, Azadeh; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o200 - o201
• a: 9.305 ± 0.009 Å
• b: 10.101 ± 0.002 Å
• c: 17.454 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1640.5 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes