Information card for entry 2009264

Structure parameters

• Common name: di[quinolinium-4-carboxylic acid] sulfate monohydrate
• Chemical name: bis(4-carboxyquinolinium) sulfate monohydrate
• Formula: C20 H18 N2 O9 S
• Calculated formula: C20 H18 N2 O9 S
• Title of publication: Hydrogen bonding and C—H···O interactions in bis(4-carboxyquinolinium) sulfate monohydrate
• Authors of publication: Dobson, Allison J.; Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2142 - 2145
• a: 7.811 ± 0.001 Å
• b: 11.1324 ± 0.0008 Å
• c: 11.831 ± 0.001 Å
• α: 87.508 ± 0.007°
• β: 71.538 ± 0.008°
• γ: 87.198 ± 0.009°
• Cell volume: 974.23 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No