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Information card for entry 4038332
Preview
| Coordinates | 4038332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H32 Cl2 O2 P2 Zn |
|---|---|
| Calculated formula | C39 H32 Cl2 O2 P2 Zn |
| Title of publication | Zn-Catalyzed Cyanation of Aryl Iodides. |
| Authors of publication | Zhao, LuLu; Dong, Yanan; Xia, Qiangqiang; Bai, Jian-Fei; Li, Yuehui |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 11.349 ± 0.0013 Å |
| b | 18.809 ± 0.002 Å |
| c | 16.489 ± 0.002 Å |
| α | 90° |
| β | 94.802 ± 0.002° |
| γ | 90° |
| Cell volume | 3507.4 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0622 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1345 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251822 (current) | 2020-05-06 | cif/ Adding structures of 4038332 via cif-deposit CGI script. |
4038332.cif |
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Users of the data should acknowledge the original authors of the
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