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Information card for entry 4128686
Preview
| Coordinates | 4128686.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H18 F N O2 S |
|---|---|
| Calculated formula | C20 H18 F N O2 S |
| Title of publication | Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp<sup>2</sup>-sp<sup>3</sup> Cross-Coupling. |
| Authors of publication | Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 18 |
| Pages of publication | 7582 - 7588 |
| a | 6.2029 ± 0.0001 Å |
| b | 8.504 ± 0.0001 Å |
| c | 16.5123 ± 0.0002 Å |
| α | 90° |
| β | 97.283 ± 0.001° |
| γ | 90° |
| Cell volume | 863.99 ± 0.02 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1561 |
| Weighted residual factors for all reflections included in the refinement | 0.158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4128686.cif |
| 221767 | 2019-11-03 | cif/ Adding structures of 4128686 via cif-deposit CGI script. |
4128686.cif |
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Users of the data should acknowledge the original authors of the
structural data.