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Information card for entry 4129292
Preview
| Coordinates | 4129292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H11 Br O2 S |
|---|---|
| Calculated formula | C10 H11 Br O2 S |
| SMILES | Brc1ccc([C@@H]2CS(=O)(=O)CC2)cc1 |
| Title of publication | Rhodium-catalyzed asymmetric arylation of allyl sulfones under the conditions of isomerization into alkenyl sulfones. |
| Authors of publication | Lim, Kelvin Meng-Hui; Hayashi, Tamio |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 9 |
| Pages of publication | 3201 - 3204 |
| a | 8.385 ± 0.0009 Å |
| b | 5.7634 ± 0.0006 Å |
| c | 11.4508 ± 0.0011 Å |
| α | 90° |
| β | 104.014 ± 0.003° |
| γ | 90° |
| Cell volume | 536.9 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.463 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240041 (current) | 2019-11-25 | cif/ Adding structures of 4129292 via cif-deposit CGI script. |
4129292.cif |
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Users of the data should acknowledge the original authors of the
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