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Information card for entry 7714189
Preview
| Coordinates | 7714189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H4 F6 I N O7 S |
|---|---|
| Calculated formula | C9 H4 F6 I N O7 S |
| Title of publication | Electrophilic Activation of Molecular Bromine Mediated by I(III) |
| Authors of publication | Sharp-Bucknall, Lachlan; _, Tania; Sceney, Marcus; Barwise, Lachlan; Dutton, Jason Laurence |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 9.5843 ± 0.0001 Å |
| b | 10.5374 ± 0.0002 Å |
| c | 15.399 ± 0.0002 Å |
| α | 90° |
| β | 91.246 ± 0.001° |
| γ | 90° |
| Cell volume | 1554.83 ± 0.04 Å3 |
| Cell temperature | 250 ± 0.1 K |
| Ambient diffraction temperature | 250 ± 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 | 0.0475 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286939 (current) | 2023-10-13 | cif/ Adding structures of 7714189 via cif-deposit CGI script. |
7714189.cif |
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Users of the data should acknowledge the original authors of the
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