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Information card for entry 7121966
Preview
| Coordinates | 7121966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H15 Br Cl F4 I O2 |
|---|---|
| Calculated formula | C17 H15 Br Cl F4 I O2 |
| Title of publication | Unexpected reactivity of cyclic perfluorinated iodanes with electrophiles. |
| Authors of publication | Gruber, Stefan; Ametamey, Simon M.; Schibli, Roger |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 65 |
| Pages of publication | 8999 - 9002 |
| a | 11.3548 ± 0.0001 Å |
| b | 8.0586 ± 0.0001 Å |
| c | 21.0488 ± 0.0002 Å |
| α | 90° |
| β | 95.611 ± 0.001° |
| γ | 90° |
| Cell volume | 1916.82 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0206 |
| Residual factor for significantly intense reflections | 0.0202 |
| Weighted residual factors for significantly intense reflections | 0.0491 |
| Weighted residual factors for all reflections included in the refinement | 0.0494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7121966.cif |
| 228540 | 2019-11-17 | cif/ Updating files of 7121965, 7121966, 7121967 Original log message: Adding full bibliography for 7121965--7121967.cif. |
7121966.cif |
| 209016 | 2018-07-14 | cif/ Adding structures of 7121965, 7121966, 7121967 via cif-deposit CGI script. |
7121966.cif |
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Users of the data should acknowledge the original authors of the
structural data.