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Information card for entry 7247532
Preview
| Coordinates | 7247532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 O6 S |
|---|---|
| Calculated formula | C20 H22 O6 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)CC(c1ccccc1)C(C(=O)OC)C(=O)OC |
| Title of publication | Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes |
| Authors of publication | Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu |
| Journal of publication | Green Chemistry |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 22 |
| Pages of publication | 9086 - 9091 |
| a | 5.7239 ± 0.0002 Å |
| b | 16.0544 ± 0.0004 Å |
| c | 20.5787 ± 0.0007 Å |
| α | 94.727 ± 0.002° |
| β | 94.995 ± 0.003° |
| γ | 90.152 ± 0.002° |
| Cell volume | 1877.37 ± 0.1 Å3 |
| Cell temperature | 100 ± 5 K |
| Ambient diffraction temperature | 100 ± 5 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1966 |
| Residual factor for significantly intense reflections | 0.1794 |
| Weighted residual factors for significantly intense reflections | 0.4517 |
| Weighted residual factors for all reflections included in the refinement | 0.4613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| 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 |
|---|---|---|---|
| 296876 (current) | 2024-12-16 | cif/7: Fixing Z values and formulae |
7247532.cif |
| 288819 | 2024-01-06 | cif/ Updating files of 7247529, 7247530, 7247531, 7247532, 7247533 Original log message: Adding full bibliography for 7247529--7247533.cif. |
7247532.cif |
| 287041 | 2023-10-20 | cif/ Adding structures of 7247529, 7247530, 7247531, 7247532, 7247533 via cif-deposit CGI script. |
7247532.cif |
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Users of the data should acknowledge the original authors of the
structural data.