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Information card for entry 4517839
Preview
| Coordinates | 4517839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H28 O2 |
|---|---|
| Calculated formula | C23 H28 O2 |
| 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 | 10.0446 ± 0.0007 Å |
| b | 12.2899 ± 0.0007 Å |
| c | 17.0614 ± 0.0009 Å |
| α | 76.398 ± 0.005° |
| β | 74.831 ± 0.005° |
| γ | 88.404 ± 0.005° |
| Cell volume | 1974.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254119 (current) | 2020-07-09 | cif/ Adding structures of 4517839 via cif-deposit CGI script. |
4517839.cif |
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