Information card for entry 2226728

Structure parameters

• Chemical name: 4-(2-Carboxyvinyl)pyridinium iodide
• Formula: C8 H8 I N O2
• Calculated formula: C8 H8 I N O2
• SMILES: [nH+]1ccc(/C=C/C(=O)O)cc1.[I-]
• Title of publication: 4-(2-Carboxyvinyl)pyridinium iodide
• Authors of publication: Hu, Dong-Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1639
• a: 4.9685 ± 0.001 Å
• b: 15.494 ± 0.003 Å
• c: 12.123 ± 0.002 Å
• α: 90°
• β: 101.48 ± 0.03°
• γ: 90°
• Cell volume: 914.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes