Information card for entry 1550003

Structure parameters

• Formula: C77 H17 Al Cl2 F46 O3
• Calculated formula: C77 H17 Al Cl2 F46 O3
• SMILES: C(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)O[Al](F)(OC(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)OC(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[C+](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Al(OCArF3)₃ - a thermally stable Lewis superacid.
• Authors of publication: Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 43
• Pages of publication: 8178 - 8183
• a: 11.872 ± 0.0002 Å
• b: 13.5786 ± 0.0003 Å
• c: 22.6501 ± 0.0004 Å
• α: 83.441 ± 0.001°
• β: 84.275 ± 0.001°
• γ: 85.147 ± 0.001°
• Cell volume: 3599.41 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0584
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No