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Information card for entry 7121977
Preview
| Coordinates | 7121977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H12 F11 N O |
|---|---|
| Calculated formula | C10 H12 F11 N O |
| Title of publication | The perfluorinated alcohols c-C<sub>6</sub>F<sub>11</sub>OH, c-C<sub>6</sub>F<sub>10</sub>-1,1-(OH)<sub>2</sub> and c-C<sub>6</sub>F<sub>10</sub>-1-(CF<sub>3</sub>)OH. |
| Authors of publication | Schaab, Jonas; Schwab, Miriam; Kratzert, Daniel; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Krossing, Ingo |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 67 |
| Pages of publication | 9294 - 9297 |
| a | 7.4929 ± 0.0002 Å |
| b | 10.3291 ± 0.0002 Å |
| c | 18.055 ± 0.0004 Å |
| α | 90° |
| β | 94.475 ± 0.001° |
| γ | 90° |
| Cell volume | 1393.11 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0418 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121977.cif |
| 228569 | 2019-11-17 | cif/ Updating files of 7121977, 7121978, 7121979, 7121980 Original log message: Adding full bibliography for 7121977--7121980.cif. |
7121977.cif |
| 209061 | 2018-07-17 | cif/ Adding structures of 7121977 via cif-deposit CGI script. |
7121977.cif |
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Users of the data should acknowledge the original authors of the
structural data.