Information card for entry 2236430

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2-chloro-2,2-difluoroacetyl)phosphoric triamide
• Formula: C16 H17 Cl F2 N3 O2 P
• Calculated formula: C16 H17 Cl F2 N3 O2 P
• Title of publication: <i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2-chloro-2,2-difluoroacetyl)phosphoric triamide
• Authors of publication: Pourayoubi, Mehrdad; Keikha, Mojtaba; Jasinski, Jerry P.; Keeley, Amanda C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3009
• a: 12.9734 ± 0.0005 Å
• b: 4.99 ± 0.0002 Å
• c: 13.775 ± 0.0004 Å
• α: 90°
• β: 96.482 ± 0.003°
• γ: 90°
• Cell volume: 886.06 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes