Information card for entry 2232152

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>''-(2,6- difluorobenzoyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide
• Formula: C21 H32 F2 N3 O2 P
• Calculated formula: C21 H32 F2 N3 O2 P
• SMILES: P(=O)(NC(=O)c1c(F)cccc1F)(N(C1CCCCC1)C)N(C1CCCCC1)C
• Title of publication: <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>''-(2,6-difluorobenzoyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide
• Authors of publication: Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3027
• a: 10.2322 ± 0.0006 Å
• b: 10.6188 ± 0.0005 Å
• c: 11.2658 ± 0.0006 Å
• α: 69.419 ± 0.001°
• β: 79.269 ± 0.001°
• γ: 81.536 ± 0.001°
• Cell volume: 1121.45 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes