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Information card for entry 1546951
Preview
| Coordinates | 1546951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H18 O2 S2 |
|---|---|
| Calculated formula | C30 H18 O2 S2 |
| SMILES | S1(=O)(=O)c2ccc(c3c4c(ccc3)cccc4)cc2c2c1ccc(c2)c1sc2c(c1)cccc2 |
| Title of publication | Construction of Functionalized Annulated Sulfone via SO2/I Exchange of Cyclic Diaryliodonium Salts. |
| Authors of publication | Wang, Ming; Chen, Shihao; Jiang, Xuefeng |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 18 |
| Pages of publication | 4916 - 4919 |
| a | 17.278 ± 0.004 Å |
| b | 10.111 ± 0.002 Å |
| c | 13.842 ± 0.003 Å |
| α | 90° |
| β | 109.626 ± 0.006° |
| γ | 90° |
| Cell volume | 2277.7 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1439 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.1921 |
| Weighted residual factors for all reflections included in the refinement | 0.2499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1546951.cif |
| 201758 | 2017-10-05 | cif/ Updating files of 1546950, 1546951, 1546952 Original log message: Adding full bibliography for 1546950--1546952.cif. |
1546951.cif |
| 200254 | 2017-09-07 | cif/ Adding structures of 1546951 via cif-deposit CGI script. |
1546951.cif |
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Users of the data should acknowledge the original authors of the
structural data.