Information card for entry 1568261

Structure parameters

• Formula: C21 H41 I N2
• Calculated formula: C21 H41 I N2
• 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: 27.66 ± 0.009 Å
• b: 9.968 ± 0.0019 Å
• c: 8.286 ± 0.0016 Å
• α: 90°
• β: 91.613 ± 0.012°
• γ: 90°
• Cell volume: 2283.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2727
• Weighted residual factors for all reflections included in the refinement: 0.2966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No