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Information card for entry 7128155
Preview
| Coordinates | 7128155.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H15 N O2 |
|---|---|
| Calculated formula | C18 H15 N O2 |
| SMILES | O(c1ccc(/C(=C/c2nccc3c2cccc3)O)cc1)C |
| Title of publication | Zinc-catalyzed C-H alkenylation of quinoline <i>N</i>-oxides with ynones: a new strategy towards quinoline-enol scaffolds. |
| Authors of publication | Hu, Yan; Nan, Jiang; Gong, Xue; Zhang, Jiawen; Yin, Jiacheng; Ma, Yangmin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 40 |
| Pages of publication | 4930 - 4933 |
| a | 12.6333 ± 0.0012 Å |
| b | 5.571 ± 0.0005 Å |
| c | 20.8717 ± 0.0018 Å |
| α | 90° |
| β | 101.874 ± 0.003° |
| γ | 90° |
| Cell volume | 1437.5 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 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 | 0.1368 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1637 |
| Weighted residual factors for all reflections included in the refinement | 0.2311 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7128155.cif |
| 265885 | 2021-06-05 | cif/ Updating files of 7128155 Original log message: Adding full bibliography for 7128155.cif. |
7128155.cif |
| 263990 | 2021-04-09 | cif/ Adding structures of 7128155 via cif-deposit CGI script. |
7128155.cif |
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Users of the data should acknowledge the original authors of the
structural data.