Information card for entry 7111559

Structure parameters

• Formula: C31 H33 F18 N4 Na O6
• Calculated formula: C31 H33 F18.003 N4 Na O6
• SMILES: [n+]1(C)cn(cc1)CCCC.O1C(=CC(=[O][Na]123(OC(C(F)(F)F)=CC(=[O]2)C(F)(F)F)O(C(F)(F)F)C=CC(=[O]3)C(F)(F)F)C(F)(F)F)C(F)(F)F.Cn1c[n+](CCCC)cc1
• Title of publication: Hydrophobic ionic liquids with strongly coordinating anions
• Authors of publication: Mehdi, Hasan; Binnemans, Koen; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 234 - 236
• a: 11.6351 ± 0.0005 Å
• b: 16.6309 ± 0.0007 Å
• c: 20.5944 ± 0.001 Å
• α: 90°
• β: 103.07 ± 0.002°
• γ: 90°
• Cell volume: 3881.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No