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Information card for entry 7129382
Preview
| Coordinates | 7129382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 F5 N O S Si |
|---|---|
| Calculated formula | C15 H16 F5 N O S Si |
| SMILES | S(F)(F)(F)(F)(F)c1c([SiH](C)C)cc(NC(=O)c2ccccc2)cc1 |
| Title of publication | In situ ortho-lithiation/functionalization of pentafluorosulfanyl arenes |
| Authors of publication | Le, Thanh V.; Daugulis, Olafs |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 11.9576 ± 0.0003 Å |
| b | 15.6343 ± 0.0003 Å |
| c | 9.2554 ± 0.0002 Å |
| α | 90° |
| β | 99.167 ± 0.001° |
| γ | 90° |
| Cell volume | 1708.19 ± 0.07 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0306 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271446 (current) | 2021-12-16 | cif/ Adding structures of 7129381, 7129382, 7129383 via cif-deposit CGI script. |
7129382.cif |
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Users of the data should acknowledge the original authors of the
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