Information card for entry 1550001

Structure parameters

• Formula: C57 Al F45 O3
• Calculated formula: C57 Al F45 O3
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)C1(c2c(c(c(c(c2F)F)F)F)[F][Al]2(O1)(OC(c1c(c(c(c(c1F)F)F)F)[F]2)(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(F)c(c1F)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: 13.5287 ± 0.0003 Å
• b: 14.9354 ± 0.0003 Å
• c: 15.4422 ± 0.0003 Å
• α: 87.648 ± 0.001°
• β: 65.253 ± 0.001°
• γ: 71.914 ± 0.001°
• Cell volume: 2679.32 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0756
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No