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Information card for entry 4087763
Preview
| Coordinates | 4087763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H23 O P S |
|---|---|
| Calculated formula | C22 H23 O P S |
| Title of publication | ModularP-Chirogenic Phosphine-Sulfide Ligands: Clear Evidence for Both Electronic Effect andP-Chirality Driving Enantioselectivity in Palladium-Catalyzed Allylations |
| Authors of publication | Bayardon, Jérôme; Maronnat, Milène; Langlois, Adam; Rousselin, Yoann; Harvey, Pierre D.; Jugé, Sylvain |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 17 |
| Pages of publication | 4340 |
| a | 8.9198 ± 0.0003 Å |
| b | 12.7426 ± 0.0005 Å |
| c | 17.1748 ± 0.0006 Å |
| α | 90° |
| β | 101.153 ± 0.002° |
| γ | 90° |
| Cell volume | 1915.25 ± 0.12 Å3 |
| Cell temperature | 115 K |
| Ambient diffraction temperature | 115 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 | 0.0747 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα~1~ |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236994 (current) | 2019-11-24 | cif/ Adding structures of 4087763, 4087764, 4087765, 4087766 via cif-deposit CGI script. |
4087763.cif |
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Users of the data should acknowledge the original authors of the
structural data.