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Information card for entry 4033760
Preview
| Coordinates | 4033760.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 N O3 |
|---|---|
| Calculated formula | C15 H11 N O3 |
| SMILES | Cc1ccc(c(c1)O)N1C(=O)c2ccccc2C1=O |
| Title of publication | Ru-Catalyzed Selective C-H Bond Hydroxylation of Cyclic Imides. |
| Authors of publication | Yuan, Yu-Chao; Bruneau, Christian; Dorcet, Vincent; Roisnel, Thierry; Gramage-Doria, Rafael |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 4 |
| Pages of publication | 1898 - 1907 |
| a | 10.8718 ± 0.0014 Å |
| b | 8.0647 ± 0.0012 Å |
| c | 13.948 ± 0.002 Å |
| α | 90° |
| β | 103.979 ± 0.005° |
| γ | 90° |
| Cell volume | 1186.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0906 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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 |
|---|---|---|---|
| 222335 (current) | 2019-11-04 | cif/ Adding structures of 4033760 via cif-deposit CGI script. |
4033760.cif |
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Users of the data should acknowledge the original authors of the
structural data.