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Information card for entry 1550002
Preview
| Coordinates | 1550002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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)<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 | 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228686 (current) | 2019-11-17 | cif/ Updating files of 1550001, 1550002, 1550003, 1550004, 1550005, 1550006, 1550007, 1550008, 1550009, 1550010, 1550011, 1550012, 1550013, 1550014 Original log message: Adding full bibliography for 1550001--1550014.cif. |
1550002.cif |
| 211285 | 2018-10-03 | cif/ Adding structures of 1550001, 1550002, 1550003, 1550004, 1550005, 1550006, 1550007, 1550008, 1550009, 1550010, 1550011, 1550012, 1550013, 1550014 via cif-deposit CGI script. |
1550002.cif |
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Users of the data should acknowledge the original authors of the
structural data.