Information card for entry 2235391

Structure parameters

• Chemical name: Benzene-1,2-dicarboxylic acid‒pyridinium-2-olate (1/1)
• Formula: C13 H11 N O5
• Calculated formula: C13 H11 N O5
• Title of publication: Benzene-1,2-dicarboxylic acid‒pyridinium-2-olate (1/1)
• Authors of publication: Yu, Chua-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o1989
• a: 7.4529 ± 0.0015 Å
• b: 7.7925 ± 0.0016 Å
• c: 11.489 ± 0.002 Å
• α: 84.42 ± 0.03°
• β: 84.29 ± 0.03°
• γ: 70.3 ± 0.03°
• Cell volume: 623.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes