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Information card for entry 4518720
Preview
| Coordinates | 4518720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 Cl O2 S2 |
|---|---|
| Calculated formula | C13 H9 Cl O2 S2 |
| Title of publication | Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides |
| Authors of publication | Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2021 |
| Journal volume | 9 |
| Journal issue | 20 |
| Pages of publication | 7171 - 7178 |
| a | 5.4415 ± 0.0011 Å |
| b | 7.9266 ± 0.0009 Å |
| c | 30.427 ± 0.005 Å |
| α | 90° |
| β | 94.695 ± 0.019° |
| γ | 90° |
| Cell volume | 1308 ± 0.4 Å3 |
| Cell temperature | 299.1 ± 0.3 K |
| Ambient diffraction temperature | 299.1 ± 0.3 K |
| Number of distinct elements | 5 |
| 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 | 0.1121 |
| Residual factor for significantly intense reflections | 0.0966 |
| Weighted residual factors for significantly intense reflections | 0.2322 |
| Weighted residual factors for all reflections included in the refinement | 0.2589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| 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 |
|---|---|---|---|
| 265752 (current) | 2021-06-04 | cif/ Updating files of 4518716, 4518717, 4518718, 4518719, 4518720, 4518721, 4518722, 4518723, 4518724 Original log message: Adding full bibliography for 4518716--4518724.cif. |
4518720.cif |
| 265191 | 2021-05-14 | cif/ Adding structures of 4518716, 4518717, 4518718, 4518719, 4518720, 4518721, 4518722, 4518723, 4518724 via cif-deposit CGI script. |
4518720.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.