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Information card for entry 1572544
Preview
| Coordinates | 1572544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H26 N2 O2 S |
|---|---|
| Calculated formula | C28 H26 N2 O2 S |
| Title of publication | A metal-free route to substituted imidazolidines via ring-opening cyclization (ROC) of activated aziridines with N-benzylanilines: DA-COP catalyzed photo-oxidative C–H activation |
| Authors of publication | Kumar, Manish; Singh, Bharat; Singh, Sugandha; Verma, Indresh; Kar, Kamal K.; Ghorai, Manas K. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 21 |
| Pages of publication | 6411 - 6419 |
| a | 18.3937 ± 0.0009 Å |
| b | 9.9807 ± 0.0005 Å |
| c | 26.3497 ± 0.0013 Å |
| α | 90° |
| β | 104.753 ± 0.002° |
| γ | 90° |
| Cell volume | 4677.9 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| 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 |
|---|---|---|---|
| 296256 (current) | 2024-12-06 | cif/ Updating files of 1572544 Original log message: Adding full bibliography for 1572544.cif. |
1572544.cif |
| 294697 | 2024-09-11 | cif/ Adding structures of 1572544 via cif-deposit CGI script. |
1572544.cif |
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Users of the data should acknowledge the original authors of the
structural data.