Information card for entry 2207898

Structure parameters

• Chemical name: Bis(pyridinium-4-olate) succinic acid
• Formula: C14 H16 N2 O6
• Calculated formula: C14 H16 N2 O6
• SMILES: c1(=O)cc[nH]cc1.C(=O)(CCC(=O)O)O.c1(=O)cc[nH]cc1
• Title of publication: Bis(pyridinium-4-olate) succinic acid
• Authors of publication: Yang, De-Suo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o352 - o353
• a: 8.559 ± 0.002 Å
• b: 5.178 ± 0.001 Å
• c: 16.387 ± 0.003 Å
• α: 90°
• β: 97.891 ± 0.002°
• γ: 90°
• Cell volume: 719.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0803
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes