Information card for entry 7202704

Structure parameters

• Formula: C38 H40 N4 O13 S2
• Calculated formula: C38 H40 N4 O13 S2
• SMILES: S(=O)(=O)(O)[O-].c1(cccc2c1[nH+]ccc2)OCC(=O)Nc1c(cccc1C)C.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: 11.19 ± 0.0002 Å
• b: 11.3769 ± 0.0002 Å
• c: 17.1563 ± 0.0004 Å
• α: 80.895 ± 0.001°
• β: 76.141 ± 0.001°
• γ: 65.615 ± 0.001°
• Cell volume: 1927.02 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No