Information card for entry 2230405

Structure parameters

• Chemical name: <i>N</i>-Benzoyl-<i>N</i>',<i>N</i>''-dicyclohexylphosphoric triamide
• Formula: C19 H30 N3 O2 P
• Calculated formula: C19 H30 N3 O2 P
• SMILES: P(=O)(NC(=O)c1ccccc1)(NC1CCCCC1)NC1CCCCC1
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>',<i>N</i>''-dicyclohexylphosphoric triamide
• Authors of publication: Pourayoubi, Mehrdad; Rostami Chaijan, Mahnaz; Torre-Fernández, Laura; García-Granda, Santiago
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1360
• a: 20.9904 ± 0.0017 Å
• b: 5.1503 ± 0.0002 Å
• c: 21.1125 ± 0.0018 Å
• α: 90°
• β: 121.955 ± 0.011°
• γ: 90°
• Cell volume: 1936.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes