Information card for entry 7227068

Structure parameters

• Formula: C17 H15 N2 O5.5
• Calculated formula: C17 H15 N2 O5.5
• SMILES: O.C(=N\O)/c1cc[nH+]c2ccccc12.[O-]C(=O)c1cccc(O)c1O
• 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: 16.7216 ± 0.0018 Å
• b: 10.9118 ± 0.0011 Å
• c: 18.807 ± 0.002 Å
• α: 90°
• β: 113.093 ± 0.006°
• γ: 90°
• Cell volume: 3156.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No