Information card for entry 2224077

Structure parameters

• Chemical name: <i>N</i>-{Bis[methyl(phenyl)amino]phosphoryl}-2,2,2-trichloroacetamide
• Formula: C16 H17 Cl3 N3 O2 P
• Calculated formula: C16 H17 Cl3 N3 O2 P
• SMILES: P(=O)(N(c1ccccc1)C)(N(c1ccccc1)C)NC(=O)C(Cl)(Cl)Cl
• Title of publication: <i>N</i>-{Bis[methyl(phenyl)amino]phosphoryl}-2,2,2-trichloroacetamide
• Authors of publication: Znovjyak, Kateryna O.; Ovchynnikov, Vladimir A.; Sliva, Tetyana Yu.; Shishkina, Svitlana V.; Amirkhanov, Vladimir M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2812
• a: 12.8226 ± 0.001 Å
• b: 19.5161 ± 0.0015 Å
• c: 15.1132 ± 0.0012 Å
• α: 90°
• β: 93.345 ± 0.006°
• γ: 90°
• Cell volume: 3775.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes