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Information card for entry 4518732
Preview
| Coordinates | 4518732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 B F9 O4 |
|---|---|
| Calculated formula | C25 H22 B F9 O4 |
| Title of publication | Pd-Catalyzed Perfluoroalkylative Aryloxycarbonylation of Alkynes with Formates as CO Surrogates |
| Authors of publication | Gatlik, Beata; Chaładaj, Wojciech |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 6547 - 6559 |
| a | 18.977 ± 0.003 Å |
| b | 11.6497 ± 0.0018 Å |
| c | 12.004 ± 0.002 Å |
| α | 90° |
| β | 97.393 ± 0.01° |
| γ | 90° |
| Cell volume | 2631.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1514 |
| Residual factor for significantly intense reflections | 0.1029 |
| Weighted residual factors for significantly intense reflections | 0.3031 |
| Weighted residual factors for all reflections included in the refinement | 0.351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265331 (current) | 2021-05-20 | cif/ Adding structures of 4518732 via cif-deposit CGI script. |
4518732.cif |
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Users of the data should acknowledge the original authors of the
structural data.