Information card for entry 1550002

Structure parameters

• Formula: C61 H8 Al F46 O4 Tl
• Calculated formula: C61 H8 Al F46 O4 Tl
• 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][Tl][O]1CCCC1)(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
• 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: 12.8874 ± 0.0003 Å
• b: 13.362 ± 0.0004 Å
• c: 19.1533 ± 0.0005 Å
• α: 81.244 ± 0.001°
• β: 86.346 ± 0.001°
• γ: 65.335 ± 0.001°
• Cell volume: 2962.37 ± 0.14 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: 0.059
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No