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Information card for entry 1551853
Preview
| Coordinates | 1551853.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 O |
|---|---|
| Calculated formula | C19 H16 O |
| Title of publication | Enantioselective Palladium/Copper-Catalyzed C-C Bond Activation Synergized with Sonogashira-Type C(sp3)-C(sp) Cross-Coupling Alkynylation |
| Authors of publication | Sun, Fengna; Yang, Wan-Chun; Chen, Xiao-Bing; Sun, Yuli; Cao, Jian; Xu, Zheng; Xu, Li-Wen |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 7.922 ± 0.0002 Å |
| b | 18.8611 ± 0.0004 Å |
| c | 19.2017 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2869.07 ± 0.12 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216486 (current) | 2019-06-22 | cif/ Adding structures of 1551853 via cif-deposit CGI script. |
1551853.cif |
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