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Information card for entry 7242676
Preview
| Coordinates | 7242676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 Cl O3 S |
|---|---|
| Calculated formula | C14 H11 Cl O3 S |
| SMILES | Clc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1 |
| Title of publication | Oxy-sulfonylation of terminal alkynes via C‒S coupling enabled by copper photoredox catalysis |
| Authors of publication | Pampana, V. Kishore Kumar; Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Das, Deb Kumar; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu |
| Journal of publication | Green Chemistry |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 10 |
| Pages of publication | 3569 - 3574 |
| a | 13.3682 ± 0.0005 Å |
| b | 7.2588 ± 0.0003 Å |
| c | 26.6061 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2581.78 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266113 (current) | 2021-06-05 | cif/ Updating files of 7242675, 7242676 Original log message: Adding full bibliography for 7242675--7242676.cif. |
7242676.cif |
| 264330 | 2021-04-20 | cif/ Adding structures of 7242675, 7242676 via cif-deposit CGI script. |
7242676.cif |
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Users of the data should acknowledge the original authors of the
structural data.