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Information card for entry 1553238
Preview
| Coordinates | 1553238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H25 N O3 |
|---|---|
| Calculated formula | C22 H25 N O3 |
| Title of publication | Pd(ii)-catalyzed β-C‒H arylation of O-methyl ketoximes with iodoarenes |
| Authors of publication | Mu, Yucheng; Tan, Xiaodong; Zhang, Yemin; Jing, Xiaobi; Shi, Zhuangzhi |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 3 |
| Pages of publication | 380 |
| a | 8.1343 ± 0.0014 Å |
| b | 27.626 ± 0.005 Å |
| c | 8.8172 ± 0.0015 Å |
| α | 90° |
| β | 97.223 ± 0.003° |
| γ | 90° |
| Cell volume | 1965.7 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1228 |
| Weighted residual factors for all reflections included in the refinement | 0.1403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233729 (current) | 2019-11-23 | cif/ Adding structures of 1553238 via cif-deposit CGI script. |
1553238.cif |
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Users of the data should acknowledge the original authors of the
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