Information card for entry 7122175

Structure parameters

• Chemical name: [TRYUM-7,10][OTf]
• Formula: C28 H31 F18 N3 O4 S
• Calculated formula: C28 H31 F18 N3 O4 S
• Title of publication: 1,2,4-Triazolium ions as flexible scaffolds for the construction of polyphilic ionic liquid crystals.
• Authors of publication: Riccobono, Alessio; Parker, Rachel R.; Whitwood, Adrian C.; Slattery, John M.; Bruce, Duncan W.; Pibiri, Ivana; Pace, Andrea
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 71
• Pages of publication: 9965 - 9968
• a: 18.835 ± 0.0008 Å
• b: 8.0827 ± 0.0003 Å
• c: 22.8945 ± 0.0009 Å
• α: 90°
• β: 96.376 ± 0.004°
• γ: 90°
• Cell volume: 3463.8 ± 0.2 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No