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Information card for entry 4035403
Preview
| Coordinates | 4035403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H16 Cl4 N2 Zn |
|---|---|
| Calculated formula | C4 H16 Cl4 N2 Zn |
| SMILES | [Zn](Cl)(Cl)([Cl-])[Cl-].[NH2+](C)C.[NH2+](C)C |
| 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 | 8.5348 ± 0.0005 Å |
| b | 11.445 ± 0.0006 Å |
| c | 13.2997 ± 0.0008 Å |
| α | 90 ± 0.003° |
| β | 89.932 ± 0.003° |
| γ | 90 ± 0.002° |
| Cell volume | 1299.12 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1022 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.1478 |
| Weighted residual factors for all reflections included in the refinement | 0.1683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226861 (current) | 2019-11-11 | cif/ Adding structures of 4035403 via cif-deposit CGI script. |
4035403.cif |
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Users of the data should acknowledge the original authors of the
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