Information card for entry 7227069

Structure parameters

• Formula: C17 H16 N2 O6
• Calculated formula: C17 H16 N2 O6
• SMILES: c1(c(cc(cc1)O)O)C(=O)[O-].c12ccccc1c(cc[nH+]2)/C=N/O.O
• Title of publication: Quaternary and senary sub-assemblies in cocrystals and salts of quinoline-4-carbaldoxime with aromatic carboxylic acids
• Authors of publication: Tarai, Arup; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 47
• Pages of publication: 9095
• a: 14.9671 ± 0.0009 Å
• b: 7.0737 ± 0.0004 Å
• c: 15.0978 ± 0.0009 Å
• α: 90°
• β: 96.54 ± 0.004°
• γ: 90°
• Cell volume: 1588.04 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1155
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No