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Information card for entry 7127433
Preview
| Coordinates | 7127433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H118 Cl4 O15 P4 |
|---|---|
| Calculated formula | C92 H118 Cl4 O15 P4 |
| Title of publication | Palladium-catalyzed C-P cross-coupling of allenic alcohols with <i>H</i>-phosphonates leading to 2-phosphinoyl-1,3-butadienes. |
| Authors of publication | Hu, Shanshan; Sun, Wenyu; Chen, Junhong; Li, Sipei; Zhao, Runmin; Xu, Pengxiang; Gao, Yuxing; Zhao, Yufen |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 3 |
| Pages of publication | 339 - 342 |
| a | 9.6365 ± 0.0003 Å |
| b | 11.875 ± 0.0005 Å |
| c | 21.5769 ± 0.0006 Å |
| α | 99.134 ± 0.003° |
| β | 92.375 ± 0.002° |
| γ | 111.125 ± 0.003° |
| Cell volume | 2260.9 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261568 (current) | 2021-02-05 | cif/ Updating files of 7127433 Original log message: Adding full bibliography for 7127433.cif. |
7127433.cif |
| 259361 | 2020-12-01 | cif/ Adding structures of 7127433 via cif-deposit CGI script. |
7127433.cif |
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Users of the data should acknowledge the original authors of the
structural data.