Information card for entry 7011110

Structure parameters

• Chemical name: 1-ethyl-2,3-dimethylimidazolium triflate
• Formula: C16 H26 F6 N4 O6 S2
• Calculated formula: C16 H26 F6 N4 O6 S2
• Title of publication: Biphasic hydroformylation in new molten salts—analogies and differences to organic solvents
• Authors of publication: Oleg Stenzel; Helgard G. Raubenheimer; Catharine Esterhuysen
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1132 - 1138
• a: 15.722 ± 0.001 Å
• b: 8.615 ± 0.001 Å
• c: 18.081 ± 0.001 Å
• α: 90°
• β: 89.979 ± 0.011°
• γ: 90°
• Cell volume: 2449 ± 0.4 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No