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Information card for entry 7242323
Preview
| Coordinates | 7242323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 N2 O2 |
|---|---|
| Calculated formula | C19 H18 N2 O2 |
| SMILES | O=C1N(Cc2cccc(C)c2)c2c(NC\1=C/C(=O)C)cccc2 |
| Title of publication | A combination of heterogeneous catalysis and photocatalysis for the olefination of quinoxalin-2(1H)-ones with ketones in water: a green and efficient route to (Z)-enaminones |
| Authors of publication | Xu, Jun; Huang, Lin; He, Lei; Ni, Zhigang; Shen, Jiabin; Li, Xiaoling; Chen, Kaixian; Li, Wanmei; Zhang, Pengfei |
| Journal of publication | Green Chemistry |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 5 |
| Pages of publication | 2123 - 2129 |
| a | 10.6894 ± 0.0013 Å |
| b | 10.6948 ± 0.0014 Å |
| c | 13.7194 ± 0.0017 Å |
| α | 90° |
| β | 91.046 ± 0.002° |
| γ | 90° |
| Cell volume | 1568.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0533 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263795 (current) | 2021-04-05 | cif/ Updating files of 7242323 Original log message: Adding full bibliography for 7242323.cif. |
7242323.cif |
| 262253 | 2021-02-26 | cif/ Adding structures of 7242323 via cif-deposit CGI script. |
7242323.cif |
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Users of the data should acknowledge the original authors of the
structural data.