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Information card for entry 4516258
Preview
| Coordinates | 4516258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H24 O |
|---|---|
| Calculated formula | C25 H24 O |
| SMILES | O=C(c1ccccc1)CCC/C=C(c1ccccc1)/c1ccc(cc1)C |
| Title of publication | Highly Regioselective C‒H Alkylation of Alkenes Through an Aryl to Vinyl 1,4-Palladium Migration/C‒C Cleavage Cascade |
| Authors of publication | Wang, Quannan; Chen, Rongjun; Lou, Jiang; Zhang, Dong H.; Zhou, Yong-Gui; Yu, Zhengkun |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Pages of publication | 11669 |
| a | 6.1623 ± 0.0007 Å |
| b | 7.8828 ± 0.0008 Å |
| c | 20.9413 ± 0.0017 Å |
| α | 85.746 ± 0.007° |
| β | 88.386 ± 0.008° |
| γ | 77.055 ± 0.009° |
| Cell volume | 988.59 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0904 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231133 (current) | 2019-11-22 | cif/ Adding structures of 4516258 via cif-deposit CGI script. |
4516258.cif |
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Users of the data should acknowledge the original authors of the
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