Information card for entry 2232710

Structure parameters

• Common name: AT24
• Chemical name: <i>N</i>,<i>N</i>-Dimethyl-<i>N</i>',<i>N</i>''-diphenylphosphoric triamide
• Formula: C14 H18 N3 O P
• Calculated formula: C14 H18 N3 O P
• SMILES: c1ccc(cc1)NP(=O)(Nc1ccccc1)N(C)C
• Title of publication: <i>N</i>,<i>N</i>-Dimethyl-<i>N</i>',<i>N</i>''-diphenylphosphoric triamide
• Authors of publication: Pourayoubi, Mehrdad; Yousefi, Mohammad; Eslami, Farnaz; Rheingold, Arnold L.; Chen, Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3220
• a: 15.501 ± 0.003 Å
• b: 10.8569 ± 0.0017 Å
• c: 8.1579 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1372.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes