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Information card for entry 1556036
Preview
| Coordinates | 1556036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H44 Cl2 N8 Ni O2 |
|---|---|
| Calculated formula | C28 H24 Cl2 N8 Ni O2 |
| Title of publication | General and Mild Nickel-Catalyzed Cyanation of Aryl/Heteroaryl Chlorides with Zn(CN)<sub>2</sub>: Key Roles of DMAP. |
| Authors of publication | Zhang, Xingjie; Xia, Aiyou; Chen, Haoyi; Liu, Yuanhong |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 8 |
| Pages of publication | 2118 - 2121 |
| a | 17.0714 ± 0.0011 Å |
| b | 17.0714 ± 0.0011 Å |
| c | 17.0714 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4975.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 229 |
| Hermann-Mauguin space group symbol | I m -3 m |
| Hall space group symbol | -I 4 2 3 |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1387 |
| Weighted residual factors for all reflections included in the refinement | 0.1448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239357 (current) | 2019-11-24 | cif/ Adding structures of 1556036 via cif-deposit CGI script. |
1556036.cif |
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