Information card for entry 1568260

Structure parameters

• Formula: C21 H41 Br N2
• Calculated formula: C21 H41 Br 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: 6.715 ± 0.003 Å
• b: 7.437 ± 0.002 Å
• c: 24.396 ± 0.009 Å
• α: 86.48 ± 0.02°
• β: 82.188 ± 0.017°
• γ: 68.301 ± 0.012°
• Cell volume: 1121.4 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No