Information card for entry 7220231

Structure parameters

• Formula: C23 H42 F6 N4 O4 S2
• Calculated formula: C23 H42 F6 N4 O4 S2
• SMILES: S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.[N+](=C1C(=C1N(CCC)CCC)N(CCC)CCC)(CCC)CCC
• Title of publication: Synthesis and physical properties of tris(dialkylamino)cyclopropenium bistriflamide ionic liquids
• Authors of publication: Walst, Kelvin J.; Yunis, Ruhamah; Bayley, Paul; MacFarlane, Doug; Ward, Callum J.; Wang, Ruomeng; Curnow, Owen John
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 19.2495 ± 0.0004 Å
• b: 10.09683 ± 0.00017 Å
• c: 34.277 ± 0.0007 Å
• α: 90°
• β: 105.887 ± 0.002°
• γ: 90°
• Cell volume: 6407.6 ± 0.2 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No