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Information card for entry 1555878
Preview
| Coordinates | 1555878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | SJY-006 |
|---|---|
| Formula | C17 H24 O2 S Si |
| Calculated formula | C17 H24 O2 S Si |
| SMILES | c1ccccc1C1=C(C(CS1)C[Si](C)(C)C)C(=O)OCC |
| Title of publication | Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes. |
| Authors of publication | Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 20 |
| Pages of publication | 5408 - 5411 |
| a | 10.1244 ± 0.0004 Å |
| b | 18.7208 ± 0.0008 Å |
| c | 9.5787 ± 0.0004 Å |
| α | 90° |
| β | 91.3035 ± 0.0018° |
| γ | 90° |
| Cell volume | 1815.05 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0692 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555878.cif |
| 239203 | 2019-11-24 | cif/ Adding structures of 1555878 via cif-deposit CGI script. |
1555878.cif |
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Users of the data should acknowledge the original authors of the
structural data.