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Information card for entry 7064372
Preview
| Coordinates | 7064372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H22 Br O2 S2 |
|---|---|
| Calculated formula | C27 H22 Br O2 S2 |
| Title of publication | Photo-induced tandem cyclization of alkynes with sodium sulfinates to access sulfonated exocyclic alkenes |
| Authors of publication | Xu, Jiefang; Fan, Haoqun; Cao, Feng; Yang, Xiaohu; Huang, Chunyan |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| Journal volume | 50 |
| Journal issue | 17 |
| Pages of publication | 7515 - 7519 |
| a | 5.9257 ± 0.0003 Å |
| b | 16.5073 ± 0.0009 Å |
| c | 24.362 ± 0.0012 Å |
| α | 90° |
| β | 91.913 ± 0.001° |
| γ | 90° |
| Cell volume | 2381.7 ± 0.2 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 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 | 0.0866 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.