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Information card for entry 7135106
Preview
| Coordinates | 7135106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H52 B2 F2 O10 S2 |
|---|---|
| Calculated formula | C34 H52 B2 F2 O10 S2 |
| Title of publication | Regioselective Postmodification of Aryl Sulfonyl Fluorides via Iridium(I)-Catalysed C-H Borylation |
| Authors of publication | Wang, Shuting; Tang, Shuai; Han, Xiao-Le; Zhang, Hua |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 8.7369 ± 0.0002 Å |
| b | 10.5221 ± 0.0002 Å |
| c | 11.1567 ± 0.0003 Å |
| α | 69.401 ± 0.001° |
| β | 88.06 ± 0.001° |
| γ | 71.327 ± 0.001° |
| Cell volume | 905.93 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 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 | 0.0333 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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 |
|---|---|---|---|
| 302979 (current) | 2025-10-24 | cif/ Adding structures of 7135106 via cif-deposit CGI script. |
7135106.cif |
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Users of the data should acknowledge the original authors of the
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