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Information card for entry 7230571
Preview
| Coordinates | 7230571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H10 O3 S |
|---|---|
| Calculated formula | C11 H10 O3 S |
| Title of publication | Cs2CO3-promoted defluorination and functionalization of α-CF3 carbonyl compounds in the presence of N-, O-, and/or S-nucleophiles |
| Authors of publication | Wu, Yue; Zhang, Bingbing; Zheng, Yinying; Wang, Yuheng; Lei, Xinsheng |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 29 |
| Pages of publication | 16019 |
| a | 16.254 ± 0.001 Å |
| b | 5.0706 ± 0.0003 Å |
| c | 12.3045 ± 0.0007 Å |
| α | 90° |
| β | 92.216 ± 0.002° |
| γ | 90° |
| Cell volume | 1013.35 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0274 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230571.cif |
| 207526 | 2018-04-30 | cif/ Adding structures of 7230571 via cif-deposit CGI script. |
7230571.cif |
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Users of the data should acknowledge the original authors of the
structural data.