Information card for entry 2228202

Structure parameters

• Chemical name: 4-Methoxyanilinium iodide
• Formula: C7 H10 I N O
• Calculated formula: C7 H10 I N O
• SMILES: [I-].COc1ccc(cc1)[NH3+]
• Title of publication: 4-Methoxyanilinium iodide
• Authors of publication: Xu, Rui-jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3316
• a: 12.29 ± 0.003 Å
• b: 7.1302 ± 0.0014 Å
• c: 20.304 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1779.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes