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Information card for entry 4517838
Preview
| Coordinates | 4517838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H46 O P2 Pd |
|---|---|
| Calculated formula | C61 H46 O P2 Pd |
| Title of publication | Palladium-Catalyzed Highly Regioselective Hydrocarboxylation of Alkynes with Carbon Dioxide |
| Authors of publication | Xiong, Wenfang; Shi, Fuxing; Cheng, Ruixiang; Zhu, Baiyao; Wang, Lu; Chen, Pengquan; Lou, Hongming; Wu, Wanqing; Qi, Chaorong; Lei, Ming; Jiang, Huanfeng |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 7968 |
| a | 18.3983 ± 0.0005 Å |
| b | 13.9556 ± 0.0003 Å |
| c | 20.8118 ± 0.0006 Å |
| α | 90° |
| β | 109.351 ± 0.003° |
| γ | 90° |
| Cell volume | 5041.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0655 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254118 (current) | 2020-07-09 | cif/ Adding structures of 4517838 via cif-deposit CGI script. |
4517838.cif |
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