Information card for entry 2222706

Structure parameters

• Chemical name: 4-Acetylpyridinium perchlorate
• Formula: C7 H8 Cl N O5
• Calculated formula: C7 H8 Cl N O5
• SMILES: Cl(=O)(=O)(=O)[O-].O=C(c1cc[nH+]cc1)C
• Title of publication: 4-Acetylpyridinium perchlorate
• Authors of publication: Fu, Xue-qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1804
• a: 5.4657 ± 0.0011 Å
• b: 12.621 ± 0.003 Å
• c: 13.49 ± 0.003 Å
• α: 90°
• β: 97.88 ± 0.03°
• γ: 90°
• Cell volume: 921.8 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes