Information card for entry 2230037

Structure parameters

• Chemical name: 8-(2,2,2-Trifluoroethoxy)quinolinium perchlorate‒ 8-(2,2,2-trifluoroethoxy)quinoline (1/1)
• Formula: C22 H17 Cl F6 N2 O6
• Calculated formula: C22 H17 Cl F6 N2 O6
• Title of publication: 8-(2,2,2-Trifluoroethoxy)quinolinium perchlorate‒8-(2,2,2-trifluoroethoxy)quinoline (1/1)
• Authors of publication: Wu, Jun; Chen, Lu-Sheng; Liu, Qi-Kui; Guo, Dian-Shun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1131 - o1132
• a: 9.462 ± 0.002 Å
• b: 11.229 ± 0.003 Å
• c: 11.832 ± 0.003 Å
• α: 82.91 ± 0.003°
• β: 77.048 ± 0.003°
• γ: 74.536 ± 0.003°
• Cell volume: 1178.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes