Information card for entry 2232615

Structure parameters

• Chemical name: 4-Ethoxycarbonyl-<i>N</i>,<i>N</i>,<i>N</i>-trimethylanilinium iodide
• Formula: C12 H18 I N O2
• Calculated formula: C12 H18 I N O2
• Title of publication: 4-Ethoxycarbonyl-<i>N</i>,<i>N</i>,<i>N</i>-trimethylanilinium iodide
• Authors of publication: Tang, Xiao-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3454
• a: 7.479 ± 0.0015 Å
• b: 10.008 ± 0.002 Å
• c: 10.158 ± 0.002 Å
• α: 71.16 ± 0.03°
• β: 83.3 ± 0.03°
• γ: 84.62 ± 0.03°
• Cell volume: 713.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes