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Information card for entry 1553544
Preview
| Coordinates | 1553544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 N2 O3 |
|---|---|
| Calculated formula | C15 H16 N2 O3 |
| SMILES | O=C(N/C(c1ccccc1)=C\C1C(=O)N(C(=O)C1)C)C |
| Title of publication | Cobalt(iii)-catalyzed cross-coupling of enamides with allyl acetates/maleimides |
| Authors of publication | Yu, Wenlong; Zhang, Wei; Liu, Yue; Liu, Zhanxiang; Zhang, Yuhong |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 77 |
| a | 9.3103 ± 0.0008 Å |
| b | 4.8793 ± 0.0005 Å |
| c | 30.741 ± 0.003 Å |
| α | 90° |
| β | 96.596 ± 0.008° |
| γ | 90° |
| Cell volume | 1387.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0875 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235116 (current) | 2019-11-23 | cif/ Adding structures of 1553544 via cif-deposit CGI script. |
1553544.cif |
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Users of the data should acknowledge the original authors of the
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