Information card for entry 2225070

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>''-(4-nitrobenzoyl)phosphoric triamide
• Formula: C19 H29 N4 O4 P
• Calculated formula: C19 H29 N4 O4 P
• SMILES: P(=O)(NC1CCCCC1)(NC1CCCCC1)NC(=O)c1ccc(N(=O)=O)cc1
• Title of publication: <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>''-(4-nitrobenzoyl)phosphoric triamide
• Authors of publication: Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o344
• a: 10.4091 ± 0.0007 Å
• b: 10.8527 ± 0.0009 Å
• c: 11.1116 ± 0.001 Å
• α: 99.764 ± 0.007°
• β: 110.881 ± 0.007°
• γ: 108.158 ± 0.007°
• Cell volume: 1057.24 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes