Information card for entry 1558124

Structure parameters

• Formula: C22 H21 F3 N2 O3 S3
• Calculated formula: C22 H21 F3 N2 O3 S3
• SMILES: c12c(cccc1)N(/C(=C/C=C/c1[n+](c3c(cccc3)s1)CC)S2)CC.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: The effect of structural heterogeneity upon the microviscosity of ionic liquids.
• Authors of publication: Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 6121 - 6133
• a: 13.3057 ± 0.0004 Å
• b: 12.066 ± 0.0004 Å
• c: 14.7108 ± 0.0005 Å
• α: 90°
• β: 108.185 ± 0.004°
• γ: 90°
• Cell volume: 2243.81 ± 0.14 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 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: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No