Information card for entry 2226091

Structure parameters

• Chemical name: <i>N</i>-[Bis(benzylamino)phosphoryl]-2,2,2-trichloroacetamide
• Formula: C16 H17 Cl3 N3 O2 P
• Calculated formula: C16 H17 Cl3 N3 O2 P
• SMILES: ClC(Cl)(Cl)C(=O)NP(=O)(NCc1ccccc1)NCc1ccccc1
• Title of publication: <i>N</i>-[Bis(benzylamino)phosphoryl]-2,2,2-trichloroacetamide
• Authors of publication: Ovchynnikov, Vladimir A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1425
• a: 9.116 Å
• b: 10.3586 ± 0.0002 Å
• c: 11.7713 ± 0.0002 Å
• α: 68.32 ± 0.001°
• β: 67.762 ± 0.001°
• γ: 86.469 ± 0.001°
• Cell volume: 952.13 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes