Information card for entry 7202703

Structure parameters

• Formula: C19 H19 N3 O5
• Calculated formula: C19 H19 N3 O5
• SMILES: c1(cccc2c1[nH+]ccc2)OCC(=O)Nc1c(cccc1C)C.N(=O)(=O)[O-]
• Title of publication: Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides
• Authors of publication: Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 379
• a: 20.7294 ± 0.0019 Å
• b: 7.8139 ± 0.0007 Å
• c: 22.774 ± 0.002 Å
• α: 90°
• β: 104.081 ± 0.002°
• γ: 90°
• Cell volume: 3578 ± 0.6 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: 0.1887
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No