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Information card for entry 7158335
Preview
| Coordinates | 7158335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H9 I O4 S |
|---|---|
| Calculated formula | C11 H9 I O4 S |
| Title of publication | Selective difunctionalization of electron-deficient alkynes: access to (<i>E</i>)-2-iodo-3-(methylthio)acrylate. |
| Authors of publication | Lu, Ling-Hui; Ou, Guangchuan; Zhao, Xiongjie; Wang, Yufei; Chen, Xuelian; Liao, Wenjun; Li, Shundan; Wu, Chao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 37 |
| Pages of publication | 8128 - 8132 |
| a | 11.705 ± 0.004 Å |
| b | 15.007 ± 0.005 Å |
| c | 7.459 ± 0.002 Å |
| α | 90° |
| β | 105.239 ± 0.003° |
| γ | 90° |
| Cell volume | 1264.2 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0342 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269593 (current) | 2021-10-06 | cif/ Adding structures of 7158335 via cif-deposit CGI script. |
7158335.cif |
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Users of the data should acknowledge the original authors of the
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