Information card for entry 1568360

Structure parameters

• Formula: C7 H11 F2 N3 O4 S2
• Calculated formula: C7 H11 F2 N3 O4 S2
• Title of publication: Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.
• Authors of publication: Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2200 - 2214
• a: 7.9455 ± 0.0002 Å
• b: 8.6095 ± 0.0002 Å
• c: 9.9932 ± 0.0002 Å
• α: 95.988 ± 0.002°
• β: 110.473 ± 0.002°
• γ: 105.27 ± 0.002°
• Cell volume: 603.04 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0329
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No