Information card for entry 7202706

Structure parameters

• Formula: C44 H42 N4 O6
• Calculated formula: C44 H42 N4 O6
• SMILES: c1nc2c(cc1)cccc2OCC(=O)Nc1c(cccc1C)C.Oc1ccc(O)cc1.c1ccc2c(c(ccc2)OCC(=O)Nc2c(cccc2C)C)n1
• 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: 7.528 ± 0.002 Å
• b: 11.516 ± 0.003 Å
• c: 12.334 ± 0.003 Å
• α: 114.29 ± 0.004°
• β: 99.137 ± 0.004°
• γ: 96.136 ± 0.004°
• Cell volume: 944.5 ± 0.4 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: 0.0768
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No