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Information card for entry 7160426
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| Coordinates | 7160426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H8 Cl2 O |
|---|---|
| Calculated formula | C9 H8 Cl2 O |
| Title of publication | Palladium-catalyzed decarboxylation of vinyloxazolidine-2,4-diones used in the divergent reaction with 2-alkynylphenols and 2-alkynylanilines |
| Authors of publication | Yang, Zhonglie; Wang, Zhen-Hua; Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 31.0324 ± 0.0014 Å |
| b | 31.0324 ± 0.0014 Å |
| c | 7.7109 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7425.7 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1393 |
| Residual factor for significantly intense reflections | 0.093 |
| Weighted residual factors for significantly intense reflections | 0.1445 |
| Weighted residual factors for all reflections included in the refinement | 0.1588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298512 (current) | 2025-03-19 | cif/ Adding structures of 7160426, 7160427 via cif-deposit CGI script. |
7160426.cif |
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Users of the data should acknowledge the original authors of the
structural data.