Information card for entry 2220589

Structure parameters

• Chemical name: Cyclohexylmethylammonium <i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''- (2,2,2-trifluoroacetyl)phosphonic triamide)
• Formula: C23 H44 F3 N4 O2 P
• Calculated formula: C23 H44 F3 N4 O2 P
• SMILES: P([O-])(=NC(=O)C(F)(F)F)(N(C)C1CCCCC1)N(C)C1CCCCC1.[NH2+](C)C1CCCCC1
• Title of publication: Cyclohexylmethylammonium <i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''-(2,2,2-trifluoroacetyl)phosphonic triamide)
• Authors of publication: Yazdanbakhsh, Mohammad; Eshtiagh-Hosseini, Hossein; Sabbaghi, Fahimeh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o78
• a: 9.183 ± 0.003 Å
• b: 30.893 ± 0.007 Å
• c: 9.241 ± 0.002 Å
• α: 90°
• β: 93.039 ± 0.007°
• γ: 90°
• Cell volume: 2617.9 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.1082
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes