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Information card for entry 4130623
Preview
| Coordinates | 4130623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Cl3 N |
|---|---|
| Calculated formula | C16 H16 Cl3 N |
| SMILES | [Cl-].Clc1cc(ccc1Cl)/C=C/C[C@@H]([NH3+])c1ccccc1 |
| Title of publication | Catalytic Asymmetric Umpolung Allylation of Imines. |
| Authors of publication | Liu, Jie; Cao, Chao-Guo; Sun, Hong-Bao; Zhang, Xia; Niu, Dawen |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 40 |
| Pages of publication | 13103 - 13106 |
| a | 9.5249 ± 0.0003 Å |
| b | 5.8864 ± 0.0002 Å |
| c | 14.3094 ± 0.0004 Å |
| α | 90° |
| β | 100.719 ± 0.003° |
| γ | 90° |
| Cell volume | 788.29 ± 0.04 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0493 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
|---|---|---|---|
| 241016 (current) | 2019-11-25 | cif/ Adding structures of 4130623 via cif-deposit CGI script. |
4130623.cif |
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Users of the data should acknowledge the original authors of the
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