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Information card for entry 7242329
Preview
| Coordinates | 7242329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H18 O3 S |
|---|---|
| Calculated formula | C17 H18 O3 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)C(=C(OC)\c1ccccc1)/C |
| Title of publication | Regio- and stereoselective electrochemical synthesis of sulfonylated enethers from alkynes and sulfonyl hydrazides |
| Authors of publication | Du, Wu-Bo; Wang, Ning-Ning; Pan, Chao; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao |
| Journal of publication | Green Chemistry |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 6 |
| Pages of publication | 2420 - 2426 |
| a | 15.40316 ± 0.00012 Å |
| b | 7.20606 ± 0.00003 Å |
| c | 15.43887 ± 0.00009 Å |
| α | 90° |
| β | 116.871 ± 0.0009° |
| γ | 90° |
| Cell volume | 1528.62 ± 0.02 Å3 |
| Cell temperature | 170 ± 0.15 K |
| Ambient diffraction temperature | 170 ± 0.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242329.cif |
| 263798 | 2021-04-05 | cif/ Updating files of 7242329, 7242330 Original log message: Adding full bibliography for 7242329--7242330.cif. |
7242329.cif |
| 262319 | 2021-02-28 | cif/ Adding structures of 7242329, 7242330 via cif-deposit CGI script. |
7242329.cif |
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Users of the data should acknowledge the original authors of the
structural data.