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Information card for entry 1553131
Preview
| Coordinates | 1553131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (POX)PdCl2 |
|---|---|
| Formula | C16 H24 Cl2 N2 O Pd |
| Calculated formula | C16 H24 Cl2 N2 O Pd |
| SMILES | [Pd]1([N]2=C(c3[n]1c(ccc3)CC(C)C)OC[C@@H]2C(C)(C)C)(Cl)Cl |
| Title of publication | Pd(ii)-catalyzed intermolecular enantioselective hydroamination of styrenes |
| Authors of publication | Yu, Feng; Chen, Pinhong; Liu, Guosheng |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 7 |
| Pages of publication | 819 |
| a | 12.1876 ± 0.0018 Å |
| b | 9.8204 ± 0.0014 Å |
| c | 15.854 ± 0.002 Å |
| α | 90° |
| β | 96.796 ± 0.003° |
| γ | 90° |
| Cell volume | 1884.2 ± 0.5 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0974 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233622 (current) | 2019-11-23 | cif/ Adding structures of 1553131 via cif-deposit CGI script. |
1553131.cif |
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