Information card for entry 2241669

Structure parameters

• Chemical name: 3-Benzamido-1-(4-nitrobenzyl)quinolinium trifluoromethanesulfonate
• Formula: C24 H18 F3 N3 O6 S
• Calculated formula: C24 H18 F3 N3 O6 S
• Title of publication: Crystal structure of 3-benzamido-1-(4-nitrobenzyl)quinolinium trifluoromethanesulfonate
• Authors of publication: Nicolas-Gomez, Mariana; Bazany-Rodríguez, Iván J.; Plata-Vargas, Eduardo; Hernández-Ortega, Simón; Dorazco-González, Alejandro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 747 - 750
• a: 15.2183 ± 0.0006 Å
• b: 20.081 ± 0.0008 Å
• c: 15.3652 ± 0.0006 Å
• α: 90°
• β: 90.544 ± 0.001°
• γ: 90°
• Cell volume: 4695.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1298
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes