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Information card for entry 7233413
Preview
| Coordinates | 7233413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H38 Cl2 O4 P2 Pd S |
|---|---|
| Calculated formula | C42 H38 Cl2 O4 P2 Pd S |
| Title of publication | Co-catalysis over a tri-functional ligand modified Pd-catalyst for hydroxycarbonylation of terminal alkynes towards α,β-unsaturated carboxylic acids |
| Authors of publication | Yang, Da; Liu, Huan; Liu, Lei; Guo, Wen-Di; Lu, Yong; Liu, Ye |
| Journal of publication | Green Chemistry |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 19 |
| Pages of publication | 5336 |
| a | 16.7161 ± 0.0002 Å |
| b | 13.9805 ± 0.0001 Å |
| c | 19.1927 ± 0.0002 Å |
| α | 90° |
| β | 105.636 ± 0.001° |
| γ | 90° |
| Cell volume | 4319.34 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0503 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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 |
|---|---|---|---|
| 224612 (current) | 2019-11-08 | cif/ Updating files of 7233413 Original log message: Adding full bibliography for 7233413.cif. |
7233413.cif |
| 217652 | 2019-08-22 | cif/ Adding structures of 7233413 via cif-deposit CGI script. |
7233413.cif |
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