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Information card for entry 1574550
Preview
| Coordinates | 1574550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H11 F O2 |
|---|---|
| Calculated formula | C12 H11 F O2 |
| Title of publication | Synthesis of bicyclo[3.2.0]heptane lactones via a ligand-enabled Pd-catalyzed C(sp3)–H activation cascade |
| Authors of publication | Fan, Zhoulong; Cai, Xinpei; Sheng, Tao; Yu, Jin-Quan |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 8.1406 ± 0.0005 Å |
| b | 5.8085 ± 0.0003 Å |
| c | 19.8674 ± 0.0011 Å |
| α | 90° |
| β | 92.646 ± 0.002° |
| γ | 90° |
| Cell volume | 938.42 ± 0.09 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299450 (current) | 2025-04-30 | cif/ Adding structures of 1574549, 1574550 via cif-deposit CGI script. |
1574550.cif |
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Users of the data should acknowledge the original authors of the
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