Information card for entry 2229449

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2-chloro-2,2-difluoroacetyl)- <i>N</i>,<i>N</i>'-dimethylphosphoric triamide
• Formula: C18 H21 Cl F2 N3 O2 P
• Calculated formula: C18 H21 Cl F2 N3 O2 P
• SMILES: P(=O)(N(C)Cc1ccccc1)(N(C)Cc1ccccc1)NC(=O)C(Cl)(F)F
• Title of publication: <i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2-chloro-2,2-difluoroacetyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide
• Authors of publication: Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Saneei, Anahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o663 - o664
• a: 10.3059 ± 0.0009 Å
• b: 10.503 ± 0.0009 Å
• c: 10.9473 ± 0.0009 Å
• α: 71.743 ± 0.002°
• β: 67.294 ± 0.002°
• γ: 63.265 ± 0.002°
• Cell volume: 962.15 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes