Information card for entry 7227066

Structure parameters

• Formula: C17 H14 N2 O4
• Calculated formula: C17 H14 N2 O4
• SMILES: [O-]C(=O)c1ccccc1O.c12c(cc[nH+]c1cccc2)/C=N/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: 9.0241 ± 0.0015 Å
• b: 11.982 ± 0.002 Å
• c: 14.549 ± 0.002 Å
• α: 90°
• β: 107.874 ± 0.019°
• γ: 90°
• Cell volume: 1497.2 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1722
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No