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Information card for entry 1543810
Preview
| Coordinates | 1543810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H11 N O2 |
|---|---|
| Calculated formula | C16 H11 N O2 |
| SMILES | c1ccc2c(c(ccc2)C(=O)c2ccccc2)n1=O |
| Title of publication | "One-Pot" Approach to 8-Acylated 2-Quinolinones via Palladium-Catalyzed Regioselective Acylation of Quinoline N-Oxides. |
| Authors of publication | Chen, Xiaopei; Cui, Xiuling; Wu, Yangjie |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 10 |
| Pages of publication | 2411 - 2414 |
| a | 17.8024 ± 0.0009 Å |
| b | 7.7552 ± 0.0004 Å |
| c | 17.7401 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2449.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0969 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.0903 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184893 (current) | 2016-08-05 | cif/ Adding structures of 1543810 via cif-deposit CGI script. |
1543810.cif |
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Users of the data should acknowledge the original authors of the
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