Information card for entry 2231971

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraethyl-<i>N</i>''-(2- fluorobenzoyl)phosphoric triamide
• Formula: C15 H25 F N3 O2 P
• Calculated formula: C15 H25 F N3 O2 P
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraethyl-<i>N</i>''-(2-fluorobenzoyl)phosphoric triamide
• Authors of publication: Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Rheingold, Arnold L.; Golen, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2643
• a: 10.9296 ± 0.0009 Å
• b: 12.2221 ± 0.001 Å
• c: 12.3423 ± 0.001 Å
• α: 90°
• β: 91.443 ± 0.001°
• γ: 90°
• Cell volume: 1648.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes