Information card for entry 2008673

Structure parameters

• Common name: quinolinium-4-carboxylate trihydrate
• Formula: C10 H13 N O5
• Calculated formula: C10 H13 N O5
• Title of publication: Hydrogen bonding in quinolinium-4-carboxylate trihydrate
• 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: 7
• Pages of publication: 1192 - 1195
• a: 7.547 ± 0.002 Å
• b: 8.035 ± 0.001 Å
• c: 10.24 ± 0.001 Å
• α: 77.78 ± 0.01°
• β: 86.62 ± 0.01°
• γ: 65.46 ± 0.01°
• Cell volume: 551.77 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No