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Information card for entry 7129383
Preview
| Coordinates | 7129383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H16 F6 O2 S Si2 |
|---|---|
| Calculated formula | C10 H16 F6 O2 S Si2 |
| SMILES | S(F)(F)(F)(F)(F)c1c([Si](O)(C)C)c(F)c([Si](O)(C)C)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 | 11.6888 ± 0.0005 Å |
| b | 12.0275 ± 0.0005 Å |
| c | 18.7864 ± 0.0007 Å |
| α | 89.43 ± 0.001° |
| β | 85.981 ± 0.001° |
| γ | 68.952 ± 0.001° |
| Cell volume | 2458.52 ± 0.17 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.0378 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
7129383.cif |
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Users of the data should acknowledge the original authors of the
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