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Information card for entry 7123191
Preview
| Coordinates | 7123191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H18 O |
|---|---|
| Calculated formula | C24 H18 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 | 20.5655 ± 0.001 Å |
| b | 6.087 ± 0.0003 Å |
| c | 27.2088 ± 0.0014 Å |
| α | 90° |
| β | 98.487 ± 0.005° |
| γ | 90° |
| Cell volume | 3368.8 ± 0.3 Å3 |
| Cell temperature | 293.36 ± 0.1 K |
| Ambient diffraction temperature | 293.36 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0909 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123191.cif |
| 214305 | 2019-03-24 | cif/ Adding structures of 7123189, 7123190, 7123191 via cif-deposit CGI script. |
7123191.cif |
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Users of the data should acknowledge the original authors of the
structural data.