Information card for entry 2019684

Structure parameters

• Chemical name: N,N,N',N'-tetraethyl-N''-(4-fluorobenzoyl)phosphoric triamide
• Formula: C15 H25 F N3 O2 P
• Calculated formula: C15 H25 F N3 O2 P
• SMILES: P(=O)(NC(=O)c1ccc(F)cc1)(N(CC)CC)N(CC)CC
• Title of publication: Three new phosphoric triamides with a [C(O)NH]P(O)[N(C)(C)]~2~ skeleton: a database analysis of C—N—C and P—N—C bond angles
• Authors of publication: Pourayoubi, Mehrdad; Tarahhomi, Atekeh; Rheingold, Arnold L.; Golen, James A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 998 - 1002
• a: 8.8477 ± 0.0006 Å
• b: 9.7545 ± 0.0006 Å
• c: 10.0198 ± 0.0007 Å
• α: 79.993 ± 0.002°
• β: 77.973 ± 0.002°
• γ: 83.658 ± 0.002°
• Cell volume: 830.43 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes