Information card for entry 7227063

Structure parameters

• Formula: C24 H18 N4 O9
• Calculated formula: C24 H18 N4 O9
• SMILES: c1(c2ccccc2[nH+]cc1)/C=N/O.c1(c(cccc1)N(=O)=O)C(=O)[O-].c1(c(cccc1)N(=O)=O)C(=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: 7.3884 ± 0.0007 Å
• b: 11.2382 ± 0.001 Å
• c: 14.808 ± 0.0013 Å
• α: 94.017 ± 0.005°
• β: 96.891 ± 0.005°
• γ: 109.057 ± 0.005°
• Cell volume: 1145.92 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No