Information card for entry 2008360

Structure parameters

• Chemical name: t-butylammonium hydrogenphenylphosphate
• Formula: C10 H18 N O4 P
• Calculated formula: C10 H18 N O4 P
• SMILES: P(=O)(O)([O-])Oc1ccccc1.[NH3+]C(C)(C)C
• Title of publication: <i>tert</i>-Butylammonium hydrogen phenyl phosphate
• Authors of publication: Reinoso, Santiago; Vitoria, Pablo; Ugalde, Maria; Gutiérrez-Zorrilla, Juan M.; Luque, Antonio; Román, Pascual
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 683 - 685
• a: 13.271 ± 0.002 Å
• b: 6.674 ± 0.002 Å
• c: 14.79 ± 0.001 Å
• α: 90°
• β: 97.505 ± 0.01°
• γ: 90°
• Cell volume: 1298.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 3.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No