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Information card for entry 7160676
Preview
| Coordinates | 7160676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H11 Br N2 O Se |
|---|---|
| Calculated formula | C16 H11 Br N2 O Se |
| Title of publication | NBS-mediated C-selenocyanation/cyclization of enaminones with KSeCN: a mild and efficient synthesis of 2-aminoselenazoles |
| Authors of publication | Yuan, Fei; Xin, Yiyuan; Yuan, Caifeng; Chen, Zhuo; Qin, Tongling; Hu, Wenxia; Duan, Jiahuan; Tang, E. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 33.7911 ± 0.0009 Å |
| b | 33.7911 ± 0.0009 Å |
| c | 7.3889 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7306.6 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301727 (current) | 2025-08-13 | cif/ Adding structures of 7160676 via cif-deposit CGI script. |
7160676.cif |
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Users of the data should acknowledge the original authors of the
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