Information card for entry 7227064

Structure parameters

• Formula: C17 H13 N3 O5
• Calculated formula: C17 H13 N3 O5
• SMILES: c1c(c2c(cccc2)[nH+]c1)/C=N/O.c1(C(=O)[O-])cc(ccc1)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: 14.4119 ± 0.0006 Å
• b: 7.3071 ± 0.0003 Å
• c: 15.2855 ± 0.0007 Å
• α: 90°
• β: 106.646 ± 0.003°
• γ: 90°
• Cell volume: 1542.25 ± 0.12 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: 0.0707
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No