Information card for entry 2227201

Structure parameters

• Chemical name: 8-Hydroxyquinolinium 2-carboxyacetate
• Formula: C12 H11 N O5
• Calculated formula: C12 H11 N O5
• SMILES: Oc1c2[nH+]cccc2ccc1.OC(=O)CC(=O)[O-]
• Title of publication: 8-Hydroxyquinolinium 2-carboxyacetate
• Authors of publication: Quah, Ching Kheng; Loh, Wan-Sin; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2254
• a: 8.7089 ± 0.0004 Å
• b: 5.293 ± 0.0002 Å
• c: 23.4672 ± 0.0009 Å
• α: 90°
• β: 90.999 ± 0.003°
• γ: 90°
• Cell volume: 1081.58 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes