Information card for entry 2236857

Structure parameters

• Chemical name: <i>N</i>-(4-Fluorobenzoyl)-<i>N</i>',<i>N</i>''-diisopropylphosphoric triamide
• Formula: C13 H21 F N3 O2 P
• Calculated formula: C13 H21 F N3 O2 P
• Title of publication: <i>N</i>-(4-Fluorobenzoyl)-<i>N</i>',<i>N</i>''-diisopropylphosphoric triamide
• Authors of publication: Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3406 - o3407
• a: 15.9974 ± 0.0012 Å
• b: 10.7474 ± 0.0007 Å
• c: 19.5478 ± 0.0013 Å
• α: 90°
• β: 111.461 ± 0.002°
• γ: 90°
• Cell volume: 3127.8 ± 0.4 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: 0.0676
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes