Information card for entry 1568262

Structure parameters

• Formula: C23 H41 F6 N3 O4 S2
• Calculated formula: C23 H41 F6 N3 O4 S2
• Title of publication: Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids.
• Authors of publication: Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C.
• Journal of publication: Soft matter
• Year of publication: 2023
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 749 - 765
• a: 7.0531 ± 0.0002 Å
• b: 15.7762 ± 0.0005 Å
• c: 27.107 ± 0.0009 Å
• α: 96.4858 ± 0.0018°
• β: 95.9509 ± 0.0017°
• γ: 98.1327 ± 0.0017°
• Cell volume: 2944.75 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.1068
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2519
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No