Information card for entry 2223451

Structure parameters

• Chemical name: 4-Ethoxyanilinium perchlorate
• Formula: C8 H12 Cl N O5
• Calculated formula: C8 H12 Cl N O5
• SMILES: Cl(=O)(=O)(=O)[O-].[NH3+]c1ccc(OCC)cc1
• Title of publication: 4-Ethoxyanilinium perchlorate
• Authors of publication: Fu, Xue-qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2345
• a: 5.0663 ± 0.001 Å
• b: 22.601 ± 0.005 Å
• c: 9.2091 ± 0.0018 Å
• α: 90°
• β: 91.49 ± 0.03°
• γ: 90°
• Cell volume: 1054.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes