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Information card for entry 7159754
Preview
| Coordinates | 7159754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 O4 S |
|---|---|
| Calculated formula | C19 H18 O4 S |
| SMILES | S(=O)(=O)(C1CCC(=O)C=C1c1ccccc1O)c1ccc(cc1)C |
| Title of publication | Synthesis of 4-sulfonyl-1,7-diesters <i>via</i> K<sub>2</sub>CO<sub>3</sub>-mediated alkylative debenzoylation of α-sulfonyl <i>o</i>-hydroxyacetophenones with acrylates. |
| Authors of publication | Chang, Meng-Yang; Chen, Pin-Hsien |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 6 |
| Pages of publication | 1194 - 1204 |
| a | 16.5325 ± 0.0005 Å |
| b | 5.5611 ± 0.0002 Å |
| c | 19.0631 ± 0.0006 Å |
| α | 90° |
| β | 110.6 ± 0.004° |
| γ | 90° |
| Cell volume | 1640.58 ± 0.1 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0507 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0973 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
|---|---|---|---|
| 290264 (current) | 2024-03-04 | cif/ Updating files of 7159754 Original log message: Adding full bibliography for 7159754.cif. |
7159754.cif |
| 288714 | 2024-01-06 | cif/ Adding structures of 7159754 via cif-deposit CGI script. |
7159754.cif |
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Users of the data should acknowledge the original authors of the
structural data.