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Information card for entry 7156644
Preview
| Coordinates | 7156644.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H23 Br O3 S Se |
|---|---|
| Calculated formula | C31 H23 Br O3 S Se |
| Title of publication | Metal-free difunctionalization of alkynes to access tetrasubstituted olefins through spontaneous selenosulfonylation of vinylidene ortho-quinone methide (VQM). |
| Authors of publication | Huang, Shengli; Chen, Zhili; Mao, Hui; Hu, Fangli; Li, Dongmei; Tan, Yu; Yang, Fengqing; Qin, Wenling |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2019 |
| Journal volume | 17 |
| Journal issue | 5 |
| Pages of publication | 1121 - 1129 |
| a | 14.8543 ± 0.0004 Å |
| b | 12.8156 ± 0.0003 Å |
| c | 16.9743 ± 0.0005 Å |
| α | 90° |
| β | 105.02 ± 0.003° |
| γ | 90° |
| Cell volume | 3120.95 ± 0.15 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0652 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
7156644.cif |
| 225098 | 2019-11-08 | cif/ Updating files of 7156644 Original log message: Adding full bibliography for 7156644.cif. |
7156644.cif |
| 212997 | 2019-01-11 | cif/ Adding structures of 7156644 via cif-deposit CGI script. |
7156644.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.