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Information card for entry 7064357
Preview
| Coordinates | 7064357.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 I N O Se |
|---|---|
| Calculated formula | C15 H12 I N O Se |
| Title of publication | Catalyst-free direct C–H selenoxylation of (hetero)arenes |
| Authors of publication | Yue, Yikun; Zhang, Yixin; Li, Weijie; Lu, Zhande; Jin, Yiyang; Hu, Botao; Yang, Lu |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| Journal volume | 50 |
| Journal issue | 15 |
| Pages of publication | 6243 - 6247 |
| a | 8.215 ± 0.00017 Å |
| b | 18.6047 ± 0.0003 Å |
| c | 10.3154 ± 0.00018 Å |
| α | 90° |
| β | 110.984 ± 0.002° |
| γ | 90° |
| Cell volume | 1472.02 ± 0.05 Å3 |
| Cell temperature | 295.53 ± 0.1 K |
| Ambient diffraction temperature | 295.53 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0811 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.1987 |
| Weighted residual factors for all reflections included in the refinement | 0.2014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.