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Information card for entry 4035402
Preview
| Coordinates | 4035402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H18 Cl2 N2 O2 Zn |
|---|---|
| Calculated formula | C8 H18 Cl2 N2 O2 Zn |
| SMILES | [Zn](Cl)(Cl)([NH]1CCOCC1)[NH]1CCOCC1 |
| 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 | 8.3177 ± 0.0003 Å |
| b | 8.3401 ± 0.0004 Å |
| c | 9.539 ± 0.0004 Å |
| α | 90.66 ± 0.002° |
| β | 103.539 ± 0.0018° |
| γ | 100.646 ± 0.002° |
| Cell volume | 631.22 ± 0.05 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0298 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Weighted residual factors for all reflections included in the refinement | 0.0633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226860 (current) | 2019-11-11 | cif/ Adding structures of 4035402 via cif-deposit CGI script. |
4035402.cif |
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