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Information card for entry 7247512
Preview
| Coordinates | 7247512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 O3 S |
|---|---|
| Calculated formula | C20 H22 O3 S |
| SMILES | S(=O)(=O)([C@@H]1CC(=C)CO[C@H]1c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Synthesis of sulfonyl 2-aryl-5-methylenyltetrahydropyrans |
| Authors of publication | Chang, Meng-Yang; Chen, Kuan-Ting |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 43 |
| Pages of publication | 29894 - 29903 |
| a | 5.6167 ± 0.0001 Å |
| b | 15.9231 ± 0.0004 Å |
| c | 19.6051 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1753.39 ± 0.06 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286974 (current) | 2023-10-14 | cif/ Adding structures of 7247512, 7247513 via cif-deposit CGI script. |
7247512.cif |
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Users of the data should acknowledge the original authors of the
structural data.