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Information card for entry 4033759
Preview
| Coordinates | 4033759.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 F N O3 |
|---|---|
| Calculated formula | C14 H8 F N O3 |
| SMILES | C1(=O)c2ccccc2C(=O)N1c1c(cc(cc1)F)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 | 11.3002 ± 0.0013 Å |
| b | 7.7195 ± 0.0011 Å |
| c | 13.2835 ± 0.0018 Å |
| α | 90° |
| β | 104.288 ± 0.005° |
| γ | 90° |
| Cell volume | 1122.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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 |
|---|---|---|---|
| 222334 (current) | 2019-11-04 | cif/ Adding structures of 4033759 via cif-deposit CGI script. |
4033759.cif |
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Users of the data should acknowledge the original authors of the
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