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Information card for entry 4035400
Preview
| Coordinates | 4035400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 Cl2 N2 Zn |
|---|---|
| Calculated formula | C16 H22 Cl2 N2 Zn |
| SMILES | [Zn](Cl)(Cl)([NH2][C@H](c1ccccc1)C)[NH2][C@@H](C)c1ccccc1 |
| Title of publication | Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts. |
| Authors of publication | Kinens, Artis; Balkaitis, Simonas; Suna, Edgars |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 20 |
| Pages of publication | 12449 - 12459 |
| a | 5.9816 ± 0.0001 Å |
| b | 13.6923 ± 0.0003 Å |
| c | 21.4173 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1754.12 ± 0.06 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0562 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226858 (current) | 2019-11-11 | cif/ Adding structures of 4035400 via cif-deposit CGI script. |
4035400.cif |
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Users of the data should acknowledge the original authors of the
structural data.