Information card for entry 2229153

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>'',N''-dimethylphosphoric triamide
• Formula: C14 H30 N3 O P
• Calculated formula: C14 H30 N3 O P
• SMILES: P(=O)(N(C)C)(NC1CCCCC1)NC1CCCCC1
• Title of publication: <i>N</i>,<i>N</i>'-Dicyclohexyl-<i>N</i>'',<i>N</i>''-dimethylphosphoric triamide
• Authors of publication: Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Azarkamanzad, Zahra; Ebrahimi Valmoozi, Ali Asghar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o502
• a: 11.742 ± 0.004 Å
• b: 7.712 ± 0.003 Å
• c: 18.366 ± 0.006 Å
• α: 90°
• β: 102.12 ± 0.007°
• γ: 90°
• Cell volume: 1626 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1491
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes