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Information card for entry 7061177
Preview
| Coordinates | 7061177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H6 F6 S |
|---|---|
| Calculated formula | C16 H6 F6 S |
| Title of publication | Cu-catalyzed [2 + 2 + 1] cascade annulation of vinyl iodonium salts with elemental sulfur/selenium for the modular synthesis of thiophenes and selenophenes |
| Authors of publication | Wu, Yaxing; Wu, Chao; Wang, Fei; Chen, Chao |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 3 |
| Pages of publication | 945 - 949 |
| a | 9.4232 ± 0.0004 Å |
| b | 19.3491 ± 0.0008 Å |
| c | 14.9248 ± 0.0007 Å |
| α | 90° |
| β | 103.331 ± 0.005° |
| γ | 90° |
| Cell volume | 2647.9 ± 0.2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1229 |
| Residual factor for significantly intense reflections | 0.0912 |
| Weighted residual factors for significantly intense reflections | 0.1818 |
| Weighted residual factors for all reflections included in the refinement | 0.1897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.507 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272745 (current) | 2022-02-04 | cif/ Updating files of 7061177 Original log message: Adding full bibliography for 7061177.cif. |
7061177.cif |
| 271805 | 2022-01-05 | cif/ Adding structures of 7061177 via cif-deposit CGI script. |
7061177.cif |
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Users of the data should acknowledge the original authors of the
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