Information card for entry 2234632

Structure parameters

• Chemical name: dicyclohexylammonium hydrogen phenylphosphonate
• Formula: C18 H30 N O3 P
• Calculated formula: C18 H30 N O3 P
• SMILES: [NH2+](C1CCCCC1)C1CCCCC1.P(=O)([O-])(O)c1ccccc1
• Title of publication: Dicyclohexylammonium hydrogen phenylphosphonate
• Authors of publication: Diop, Tidiane; Diop, Libasse; Maris, Thierry; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1432
• a: 13.3212 ± 0.0004 Å
• b: 8.9093 ± 0.0003 Å
• c: 16.067 ± 0.0005 Å
• α: 90°
• β: 104.385 ± 0.001°
• γ: 90°
• Cell volume: 1847.09 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.038
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes