Information card for entry 2227835

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2,6-difluorobenzoyl)- <i>N</i>,<i>N</i>'-dimethylphosphoric triamide
• Formula: C23 H24 F2 N3 O2 P
• Calculated formula: C23 H24 F2 N3 O2 P
• SMILES: P(=O)(NC(=O)c1c(F)cccc1F)(N(Cc1ccccc1)C)N(Cc1ccccc1)C
• Title of publication: <i>N</i>,<i>N</i>'-Dibenzyl-<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: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2524
• a: 9.937 ± 0.0011 Å
• b: 11.1093 ± 0.0015 Å
• c: 11.5902 ± 0.0014 Å
• α: 89.101 ± 0.004°
• β: 67.826 ± 0.004°
• γ: 71.664 ± 0.004°
• Cell volume: 1116.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes