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Information card for entry 7246313
Preview
| Coordinates | 7246313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 N2 O Se |
|---|---|
| Calculated formula | C22 H18 N2 O Se |
| SMILES | c1cccc2c1n(c(=O)c(c1ccccc1[Se]c1ccccc1)n2)CC |
| Title of publication | Rhodium-catalyzed selenylation and sulfenylation of quinoxalinones ‘on water’ |
| Authors of publication | Lalji, Ram Sunil Kumar; Prince,; Gupta, Mohit; Kumar, Sandeep; Kumar, Amit; Singh, Brajendra Kumar |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 6191 - 6198 |
| a | 11.2232 ± 0.0003 Å |
| b | 10.9897 ± 0.0002 Å |
| c | 15.9803 ± 0.0004 Å |
| α | 90° |
| β | 109.77 ± 0.003° |
| γ | 90° |
| Cell volume | 1854.83 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281063 (current) | 2023-02-21 | cif/ Adding structures of 7246313, 7246314 via cif-deposit CGI script. |
7246313.cif |
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Users of the data should acknowledge the original authors of the
structural data.