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Information card for entry 1543812
Preview
| Coordinates | 1543812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H23 Cl3 N O P Pd |
|---|---|
| Calculated formula | C28 H23 Cl3 N O P Pd |
| SMILES | [Pd]1(c2c3c(cccn3=[O]1)ccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.ClCCl |
| 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 | 10.2608 ± 0.0005 Å |
| b | 16.6441 ± 0.0009 Å |
| c | 15.6634 ± 0.0008 Å |
| α | 90° |
| β | 92.089 ± 0.004° |
| γ | 90° |
| Cell volume | 2673.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.039 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184895 (current) | 2016-08-05 | cif/ Adding structures of 1543812 via cif-deposit CGI script. |
1543812.cif |
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Users of the data should acknowledge the original authors of the
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