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Information card for entry 4037818
Preview
| Coordinates | 4037818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 N O |
|---|---|
| Calculated formula | C15 H11 N O |
| SMILES | O=n1c(c2ccccc2)ccc2c1cccc2 |
| Title of publication | Visible-Light Promoted C2 Selective Arylation of Quinoline and Pyridine N-Oxides with Diaryliodonium Tetrafluoroborate. |
| Authors of publication | Li, Dazhi; Liang, Ce; Jiang, Zaixing; Zhang, JunZheng; Zhuo, Wang-Tao; Zou, Fan-Yue; Wang, Wan-Peng; Gao, Guo-Lin; Song, Jinzhu |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 6.5997 ± 0.0003 Å |
| b | 7.7561 ± 0.0004 Å |
| c | 21.4326 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1097.09 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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 |
|---|---|---|---|
| 246887 (current) | 2020-01-16 | cif/ Adding structures of 4037818 via cif-deposit CGI script. |
4037818.cif |
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