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Information card for entry 4345407
Preview
| Coordinates | 4345407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10.75 H7.75 F3 I O3 S Se |
|---|---|
| Calculated formula | C10.75 H7.75 F3 I O3 S Se |
| Title of publication | Diverse Reactions of Thiophenes, Selenophenes, and Tellurophenes with Strongly Oxidizing I(III) PhI(L)2 Reagents. |
| Authors of publication | Egalahewa, Sathsara; Albayer, Mohammad; Aprile, Antonino; Dutton, Jason L. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 3 |
| Pages of publication | 1282 - 1288 |
| a | 12.544 ± 0.003 Å |
| b | 10.34 ± 0.002 Å |
| c | 12.411 ± 0.003 Å |
| α | 90° |
| β | 114.16 ± 0.03° |
| γ | 90° |
| Cell volume | 1468.8 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.072 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.188 |
| Weighted residual factors for all reflections included in the refinement | 0.1923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4345407.cif |
| 192965 | 2017-03-04 | cif/ Adding structures of 4345407, 4345408, 4345409, 4345410 via cif-deposit CGI script. |
4345407.cif |
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Users of the data should acknowledge the original authors of the
structural data.