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Information card for entry 4087766
Preview
| Coordinates | 4087766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H44 Cl6 O2 P2 Pd2 S2 |
|---|---|
| Calculated formula | C51 H44 Cl6 O2 P2 Pd2 S2 |
| 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 | 8.7467 ± 0.0005 Å |
| b | 10.6016 ± 0.0006 Å |
| c | 14.2035 ± 0.0009 Å |
| α | 79.599 ± 0.003° |
| β | 83.726 ± 0.003° |
| γ | 76.827 ± 0.003° |
| Cell volume | 1258.15 ± 0.13 Å3 |
| Cell temperature | 115 K |
| Ambient diffraction temperature | 115 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.064 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0697 |
| Weighted residual factors for all reflections included in the refinement | 0.0765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
4087766.cif |
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Users of the data should acknowledge the original authors of the
structural data.