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Information card for entry 7123190
Preview
| Coordinates | 7123190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 O |
|---|---|
| Calculated formula | C20 H16 O |
| Title of publication | Ligand-Controlled Regiodivergent π-Allyl Palladium Catalysis Enables a Switch between [3+2] and [3+3] Cycloadditions |
| Authors of publication | Xia, Yu; Bao, Qiao-Fei; Li, Yuke; Wang, Lijing; Zhang, Bo-Sheng; Liu, Hong-Chao; Liang, Yong-Min |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 8.7455 ± 0.0006 Å |
| b | 9.5862 ± 0.0009 Å |
| c | 9.8123 ± 0.001 Å |
| α | 63.15 ± 0.01° |
| β | 73.885 ± 0.007° |
| γ | 82.681 ± 0.007° |
| Cell volume | 705.1 ± 0.13 Å3 |
| Cell temperature | 120 ± 0.14 K |
| Ambient diffraction temperature | 120 ± 0.14 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 | 0.0548 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.145 |
| Weighted residual factors for all reflections included in the refinement | 0.1495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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 |
|---|---|---|---|
| 214305 (current) | 2019-03-24 | cif/ Adding structures of 7123189, 7123190, 7123191 via cif-deposit CGI script. |
7123190.cif |
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Users of the data should acknowledge the original authors of the
structural data.