Information card for entry 2216647

Structure parameters

• Chemical name: 4-Acetylanilinium perchlorate
• Formula: C8 H10 Cl N O5
• Calculated formula: C8 H10 Cl N O5
• SMILES: Cl(=O)(=O)(=O)[O-].O=C(c1ccc([NH3+])cc1)C
• Title of publication: 4-Acetylanilinium perchlorate
• Authors of publication: Dominik Cinčić; Branko Kaitner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4672 - o4672
• a: 8.0287 ± 0.0002 Å
• b: 18.9091 ± 0.0003 Å
• c: 7.1327 ± 0.0002 Å
• α: 90°
• β: 108.248 ± 0.002°
• γ: 90°
• Cell volume: 1028.4 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0504
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes