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Information card for entry 7129214
Preview
| Coordinates | 7129214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H13 F5 O5 S3 |
|---|---|
| Calculated formula | C20 H13 F5 O5 S3 |
| Title of publication | C–H Electrophilic (phenylsulfonyl)difluoromethylation of (hetero)arenes with a newly designed reagent |
| Authors of publication | Nobile, Enzo; Castanheiro, Thomas; Besset, Tatiana |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 11.1468 ± 0.0006 Å |
| b | 17.3721 ± 0.0009 Å |
| c | 22.8913 ± 0.0012 Å |
| α | 90° |
| β | 100.513 ± 0.001° |
| γ | 90° |
| Cell volume | 4358.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0979 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1824 |
| Weighted residual factors for all reflections included in the refinement | 0.2076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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 |
|---|---|---|---|
| 270529 (current) | 2021-11-09 | cif/ Adding structures of 7129213, 7129214 via cif-deposit CGI script. |
7129214.cif |
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Users of the data should acknowledge the original authors of the
structural data.