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Information card for entry 4038472
Preview
| Coordinates | 4038472.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 Br O2 P |
|---|---|
| Calculated formula | C22 H20 Br O2 P |
| Title of publication | TfOH-Catalyzed Phosphinylation of 2,3-Allenols into γ-Ketophosphine Oxides. |
| Authors of publication | Zhao, Runmin; Huang, Xianhua; Wang, Minning; Hu, Shanshan; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 5.6728 ± 0.0012 Å |
| b | 9.823 ± 0.002 Å |
| c | 17.884 ± 0.004 Å |
| α | 86.194 ± 0.003° |
| β | 88.953 ± 0.004° |
| γ | 75.743 ± 0.003° |
| Cell volume | 963.7 ± 0.4 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 | 0.0638 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.149 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0454 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253046 (current) | 2020-06-10 | cif/ Adding structures of 4038472 via cif-deposit CGI script. |
4038472.cif |
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Users of the data should acknowledge the original authors of the
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