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Information card for entry 7246014
Preview
| Coordinates | 7246014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1 |
|---|---|
| Formula | C20 H19 I O6 S |
| Calculated formula | C20 H19 I O6 S |
| SMILES | I[C@@]1([C@H](S(=O)(=O)c2ccc(C)cc2)C1(C(=O)OC)C(=O)OC)c1ccccc1 |
| Title of publication | Highly selective catalyst- and additive-free iodosulfonylation of cyclopropenes in water |
| Authors of publication | Peng, Chuxiong; Gu, Fengyan; Lin, Xiaofeng; Ding, Ning; Zhan, Qichen; Cao, Peng; Cao, Tao |
| Journal of publication | Green Chemistry |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 2 |
| Pages of publication | 671 - 677 |
| a | 6.8727 ± 0.0009 Å |
| b | 7.4757 ± 0.001 Å |
| c | 10.7012 ± 0.0013 Å |
| α | 75.161 ± 0.012° |
| β | 88.164 ± 0.011° |
| γ | 77.878 ± 0.012° |
| Cell volume | 519.48 ± 0.12 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1093 |
| Residual factor for significantly intense reflections | 0.0875 |
| Weighted residual factors for significantly intense reflections | 0.212 |
| Weighted residual factors for all reflections included in the refinement | 0.2652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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 |
|---|---|---|---|
| 281476 (current) | 2023-03-04 | cif/ Updating files of 7246014 Original log message: Adding full bibliography for 7246014.cif. |
7246014.cif |
| 279927 | 2022-12-17 | cif/ Adding structures of 7246014 via cif-deposit CGI script. |
7246014.cif |
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Users of the data should acknowledge the original authors of the
structural data.