Information card for entry 2231958

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(2-methylphenyl)-<i>N</i>''-(2,2,2- trichloroacetyl)phosphoric triamide
• Formula: C16 H17 Cl3 N3 O2 P
• Calculated formula: C16 H17 Cl3 N3 O2 P
• SMILES: ClC(Cl)(Cl)C(=O)NP(=O)(Nc1c(cccc1)C)Nc1c(cccc1)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-methylphenyl)-<i>N</i>''-(2,2,2-trichloroacetyl)phosphoric triamide
• Authors of publication: Pourayoubi, Mehrdad; Keikha, Mojtaba; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2792
• a: 14.203 ± 0.0005 Å
• b: 16.1935 ± 0.0006 Å
• c: 16.9107 ± 0.0006 Å
• α: 90°
• β: 102.372 ± 0.0019°
• γ: 90°
• Cell volume: 3799.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes