Information card for entry 2226583

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''-(4-\ nitrobenzoyl)phosphoric triamide
• Formula: C21 H33 N4 O4 P
• Calculated formula: C21 H33 N4 O4 P
• SMILES: P(=O)(NC(=O)c1ccc(N(=O)=O)cc1)(N(C)C1CCCCC1)N(C)C1CCCCC1
• Title of publication: <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''-(4-nitrobenzoyl)phosphoric triamide
• Authors of publication: Sabbaghi, Fahimeh; Rostami Chaijan, Mahnaz; Pourayoubi, Mehrdad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1754
• a: 8.6118 ± 0.0016 Å
• b: 10.838 ± 0.002 Å
• c: 12.711 ± 0.002 Å
• α: 93.089 ± 0.004°
• β: 106.792 ± 0.004°
• γ: 95.105 ± 0.003°
• Cell volume: 1127.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes