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Information card for entry 7157157
Preview
| Coordinates | 7157157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H13 N O2 S |
|---|---|
| Calculated formula | C16 H13 N O2 S |
| Title of publication | Transition-metal- and oxidant-free three-component reaction of quinoline N-oxides, sodium metabisulfite and aryldiazonium tetrafluoroborates via a dual radical coupling process. |
| Authors of publication | You, Guirong; Xi, Dan; Sun, Jian; Hao, Liqiang; Xia, Chengcai |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 43 |
| Pages of publication | 9479 |
| a | 6.4036 ± 0.0012 Å |
| b | 7.8241 ± 0.0019 Å |
| c | 14.538 ± 0.003 Å |
| α | 85.37 ± 0.003° |
| β | 89.441 ± 0.002° |
| γ | 70.995 ± 0.002° |
| Cell volume | 686.3 ± 0.3 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1328 |
| Weighted residual factors for all reflections included in the refinement | 0.1445 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157157.cif |
| 225312 | 2019-11-08 | cif/ Updating files of 7157157 Original log message: Adding full bibliography for 7157157.cif. |
7157157.cif |
| 219449 | 2019-10-22 | cif/ Adding structures of 7157157 via cif-deposit CGI script. |
7157157.cif |
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Users of the data should acknowledge the original authors of the
structural data.