Information card for entry 7060307

Structure parameters

• Formula: C9 H12 F7 N3 O6 S3
• Calculated formula: C9 H12 F7 N3 O6 S3
• Title of publication: Molecular design principles of ionic liquids with a sulfonyl fluoride moiety
• Authors of publication: Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2443 - 2452
• a: 8.7261 ± 0.0007 Å
• b: 10.1432 ± 0.001 Å
• c: 10.1921 ± 0.0011 Å
• α: 86.557 ± 0.004°
• β: 88.953 ± 0.004°
• γ: 80.564 ± 0.003°
• Cell volume: 888.26 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.045
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No