Information card for entry 2215242

Structure parameters

• Chemical name: 3-Hydroxypyridinium perchlorate
• Formula: C5 H6 Cl N O5
• Calculated formula: C5 H6 Cl N O5
• SMILES: Cl(=O)(=O)(=O)[O-].Oc1c[nH+]ccc1
• Title of publication: 3-Hydroxypyridinium perchlorate
• Authors of publication: Jing-Cai Yao; Jin-Bo Guo; Li Zhang; Hai-Yan Wen; Wei Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3678 - o3678
• a: 5.289 ± 0.005 Å
• b: 8.308 ± 0.008 Å
• c: 9.047 ± 0.008 Å
• α: 100.346 ± 0.009°
• β: 94.286 ± 0.009°
• γ: 101.732 ± 0.009°
• Cell volume: 380.3 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes