Information card for entry 2235408

Structure parameters

• Chemical name: Cyclohexylammonium acetate–<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide (1/1)
• Formula: C26 H53 N4 O3 P
• Calculated formula: C26 H53 N4 O3 P
• SMILES: P(=O)(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1.[O-]C(=O)C.[NH3+]C1CCCCC1
• Title of publication: Cyclohexylammonium acetate–<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide (1/1)
• Authors of publication: Pourayoubi, Mehrdad; Keikha, Mojtaba; Rheingold, Arnold L.; Golen, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2266
• a: 12.7663 ± 0.0008 Å
• b: 10.9011 ± 0.0007 Å
• c: 21.2791 ± 0.0013 Å
• α: 90°
• β: 104.523 ± 0.003°
• γ: 90°
• Cell volume: 2866.7 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes