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Information card for entry 7250180
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| Coordinates | 7250180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 O2 S Se |
|---|---|
| Calculated formula | C22 H24 O2 S Se |
| Title of publication | Deuterated Methylselenylating Reagents Design for Diverse Se-Methyl-d3 Scaffolds Construction |
| Authors of publication | Chen, Fener; Xiao, Xiao; Tian, Hong-Yu; Sun, Jia-Chen; Bai, Jun; Wang, Min; Chen, Biao; Jin, Yu-Xia; Jiang, Hai-Bo; Cheng, Dang |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 5.9476 ± 0.0007 Å |
| b | 18.2684 ± 0.0019 Å |
| c | 18.31 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1989.4 ± 0.4 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 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 | 0.1427 |
| Residual factor for significantly intense reflections | 0.1046 |
| Weighted residual factors for significantly intense reflections | 0.1637 |
| Weighted residual factors for all reflections included in the refinement | 0.1759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298589 (current) | 2025-03-26 | cif/ Adding structures of 7250180, 7250181 via cif-deposit CGI script. |
7250180.cif |
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Users of the data should acknowledge the original authors of the
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