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Information card for entry 1554561
Preview
| Coordinates | 1554561.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H26 Cl2 N4 O4 S2 |
|---|---|
| Calculated formula | C31 H24 Cl2 N4 O4 S2 |
| Title of publication | Nickel-promoted C(2)‒H amidation of quinoline N-oxides with N-fluorobenzenesulfonimide |
| Authors of publication | Han, Shuaijun; Gao, Xianying; Wu, Qingsong; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 6 |
| Pages of publication | 830 |
| a | 8.24 ± 0.0004 Å |
| b | 10.3859 ± 0.0004 Å |
| c | 17.7438 ± 0.0008 Å |
| α | 90° |
| β | 95.373 ± 0.004° |
| γ | 90° |
| Cell volume | 1511.84 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0771 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1813 |
| Weighted residual factors for all reflections included in the refinement | 0.1981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237344 (current) | 2019-11-24 | cif/ Adding structures of 1554561 via cif-deposit CGI script. |
1554561.cif |
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Users of the data should acknowledge the original authors of the
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