Information card for entry 2232831

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dicyclopentyl-<i>N</i>'',<i>N</i>''-dimethylphosphoric triamide
• Formula: C12 H26 N3 O P
• Calculated formula: C12 H26 N3 O P
• SMILES: P(=O)(NC1CCCC1)(NC1CCCC1)N(C)C
• Title of publication: <i>N</i>,<i>N</i>'-Dicyclopentyl-<i>N</i>'',<i>N</i>''-dimethylphosphoric triamide
• Authors of publication: Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Ghoreishi, Farnaz; Vahdani, Banafsheh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3401
• a: 10.962 ± 0.005 Å
• b: 16.663 ± 0.005 Å
• c: 8.079 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1475.7 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes