Information card for entry 2015703

Structure parameters

• Common name: quinaldic acid-L-(+)-tartaric acid (2/1)
• Chemical name: bis(quinolinium-2-carboxylate) (2R,3R)-tartaric acid
• Formula: C24 H20 N2 O10
• Calculated formula: C24 H20 N2 O10
• SMILES: O=C([O-])c1[nH+]c2ccccc2cc1.O=C([O-])c1[nH+]c2ccccc2cc1.OC(=O)[C@H](O)[C@@H](O)C(=O)O
• Title of publication: Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid
• Authors of publication: Graham Smith; Urs D. Wermuth; Jonathan M. White
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o694 - o698
• a: 4.973 ± 0.0012 Å
• b: 10.446 ± 0.003 Å
• c: 11.655 ± 0.004 Å
• α: 100.95 ± 0.005°
• β: 98.903 ± 0.006°
• γ: 106.388 ± 0.005°
• Cell volume: 556.2 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes