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Information card for entry 1575836
Preview
| Coordinates | 1575836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H15 F9 O |
|---|---|
| Calculated formula | C25 H15 F9 O |
| Title of publication | Cu-Catalyzed Enantioconvergent Deborylative Alkynylation |
| Authors of publication | Head, Joshua; Schubert, Tanner; Zhao, Biyu; Dong, Yuyang |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 30.1685 ± 0.0017 Å |
| b | 4.6266 ± 0.0003 Å |
| c | 16.5136 ± 0.0009 Å |
| α | 90° |
| β | 110.08 ± 0.002° |
| γ | 90° |
| Cell volume | 2164.8 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1649 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302196 (current) | 2025-09-20 | cif/ Adding structures of 1575835, 1575836 via cif-deposit CGI script. |
1575836.cif |
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Users of the data should acknowledge the original authors of the
structural data.