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Information card for entry 1570496
Preview
| Coordinates | 1570496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N O4 S2 |
|---|---|
| Calculated formula | C19 H21 N O4 S2 |
| Title of publication | Direct conversion of carboxylic acids to free thiols <i>via</i> radical relay acridine photocatalysis enabled by N-O bond cleavage. |
| Authors of publication | Lipilin, Dmitry L.; Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Dilman, Alexander D. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 644 - 650 |
| a | 6.2918 ± 0.0001 Å |
| b | 7.9579 ± 0.0001 Å |
| c | 37.036 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1854.37 ± 0.05 Å3 |
| Cell temperature | 99.9 ± 0.3 K |
| Ambient diffraction temperature | 99.9 ± 0.3 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1209 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| 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 |
|---|---|---|---|
| 289417 (current) | 2024-02-04 | cif/ Updating files of 1570496 Original log message: Adding full bibliography for 1570496.cif. |
1570496.cif |
| 288052 | 2023-12-06 | cif/ Adding structures of 1570496 via cif-deposit CGI script. |
1570496.cif |
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Users of the data should acknowledge the original authors of the
structural data.