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Information card for entry 4130740
Preview
| Coordinates | 4130740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H29 N O S |
|---|---|
| Calculated formula | C25 H29 N O S |
| Title of publication | Copper-Catalyzed Enantioselective Addition of Styrene-Derived Nucleophiles to Imines Enabled by Ligand-Controlled Chemoselective Hydrocupration. |
| Authors of publication | Yang, Yang; Perry, Ian B.; Buchwald, Stephen L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 31 |
| Pages of publication | 9787 - 9790 |
| a | 5.5631 ± 0.0004 Å |
| b | 17.6908 ± 0.0013 Å |
| c | 21.5907 ± 0.0016 Å |
| α | 90° |
| β | 90.0191 ± 0.0013° |
| γ | 90° |
| Cell volume | 2124.9 ± 0.3 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 | 0.0472 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241119 (current) | 2019-11-25 | cif/ Adding structures of 4130740 via cif-deposit CGI script. |
4130740.cif |
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Users of the data should acknowledge the original authors of the
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