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Information card for entry 7159053
Preview
| Coordinates | 7159053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H30 Br N O9 S |
|---|---|
| Calculated formula | C31 H30 Br N O9 S |
| SMILES | Brc1ccc(C(C(OC(=O)C)(C(=O)OCC)C(=O)OCC)c2oc3c(c2NS(=O)(=O)c2ccc(cc2)C)cccc3)cc1 |
| Title of publication | Three-component acyloxylation of diazo compounds with carboxylic acids and azadienes. |
| Authors of publication | Lin, Meng-Ling; Zheng, Ting; Liu, Hao; Wang, Ying-Xu; Dong, Lin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2023 |
| Journal volume | 21 |
| Journal issue | 5 |
| Pages of publication | 925 - 929 |
| a | 10.0935 ± 0.0001 Å |
| b | 13.2224 ± 0.0001 Å |
| c | 28.2845 ± 0.0002 Å |
| α | 90° |
| β | 93.901 ± 0.001° |
| γ | 90° |
| Cell volume | 3766.11 ± 0.05 Å3 |
| Cell temperature | 298.3 ± 0.3 K |
| Ambient diffraction temperature | 298.3 ± 0.3 K |
| Number of distinct elements | 6 |
| 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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 |
|---|---|---|---|
| 281567 (current) | 2023-03-04 | cif/ Updating files of 7159053 Original log message: Adding full bibliography for 7159053.cif. |
7159053.cif |
| 280059 | 2022-12-29 | cif/ Adding structures of 7159053 via cif-deposit CGI script. |
7159053.cif |
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Users of the data should acknowledge the original authors of the
structural data.