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Information card for entry 1550010
Preview
Coordinates | 1550010.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C63 H15 Al F45 O4 P |
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Calculated formula | C63 H15 Al F45 O4 P |
SMILES | P(=[O][Al](OC(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(OC(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)OC(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(CC)(CC)CC |
Title of publication | Al(OCArF3)<sub>3</sub> - 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 | 24.8884 ± 0.0012 Å |
b | 23.4948 ± 0.0012 Å |
c | 22.4273 ± 0.001 Å |
α | 90° |
β | 105.82 ± 0.002° |
γ | 90° |
Cell volume | 12617.6 ± 1.1 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.1133 |
Residual factor for significantly intense reflections | 0.0975 |
Weighted residual factors for significantly intense reflections | 0.2325 |
Weighted residual factors for all reflections included in the refinement | 0.2412 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550010.html
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Users of the data should acknowledge the original authors of the
structural data.