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Information card for entry 7123189
Preview
| Coordinates | 7123189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H24 O |
|---|---|
| Calculated formula | C24 H24 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 | 7.4217 ± 0.0015 Å |
| b | 11.0439 ± 0.0017 Å |
| c | 12.509 ± 0.002 Å |
| α | 102.076 ± 0.015° |
| β | 98.045 ± 0.016° |
| γ | 106.355 ± 0.016° |
| Cell volume | 940.2 ± 0.3 Å3 |
| Cell temperature | 295.08 ± 0.1 K |
| Ambient diffraction temperature | 295.08 ± 0.1 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 | 0.1686 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.1374 |
| Weighted residual factors for all reflections included in the refinement | 0.1909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
7123189.cif |
| 214305 | 2019-03-24 | cif/ Adding structures of 7123189, 7123190, 7123191 via cif-deposit CGI script. |
7123189.cif |
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Users of the data should acknowledge the original authors of the
structural data.