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Information card for entry 7160469
Preview
| Coordinates | 7160469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H34 Cl F2 N O Si |
|---|---|
| Calculated formula | C27 H34 Cl F2 N O Si |
| Title of publication | Visible-Light-Induced Difunctionalization of β-CF2H-1,3-Enynes to Access CF2H-Containing All-Carbon Quaternary Centers |
| Authors of publication | Chen, Shujie; Lin, Jin-Hao; Wu, Jia-Ming; Li, You-Hong; Dong, Bao-Le; Chen, Guoshu; Liu, Yun-Lin |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.4228 ± 0.0003 Å |
| b | 12.377 ± 0.0004 Å |
| c | 15.3766 ± 0.0005 Å |
| α | 76.468 ± 0.003° |
| β | 76.054 ± 0.003° |
| γ | 81.669 ± 0.003° |
| Cell volume | 1327.1 ± 0.08 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1372 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298685 (current) | 2025-04-02 | cif/ Adding structures of 7160469 via cif-deposit CGI script. |
7160469.cif |
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Users of the data should acknowledge the original authors of the
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