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Information card for entry 1562387
Preview
| Coordinates | 1562387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H68 N O3 P S |
|---|---|
| Calculated formula | C42 H68 N O3 P S |
| SMILES | P(c1c(cccc1OC(C)C)[C@@H](N(S(=O)C(C)(C)C)C)c1cc(c(OC)c(c1)C(C)(C)C)C(C)(C)C)(C1CCCCC1)C1CCCCC1 |
| Title of publication | Palladium/Xu-Phos-Catalyzed Asymmetric Carboamination towards Isoxazolidines and Pyrrolidines |
| Authors of publication | Wang, Yuzhuo; Wang, Lei; Chen, Mingjie; Tu, Youshao; Liu, Yu; Zhang, Junliang |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 13.7139 ± 0.0001 Å |
| b | 14.6929 ± 0.0001 Å |
| c | 20.8028 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4191.7 ± 0.05 Å3 |
| Cell temperature | 100.3 ± 0.7 K |
| Ambient diffraction temperature | 100.3 ± 0.7 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265009 (current) | 2021-05-07 | cif/ Adding structures of 1562386, 1562387 via cif-deposit CGI script. |
1562387.cif |
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Users of the data should acknowledge the original authors of the
structural data.