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Information card for entry 7121851
Preview
| Coordinates | 7121851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H23 F O |
|---|---|
| Calculated formula | C22 H23 F O |
| Title of publication | A catalytic allylic cation-induced intermolecular allylation-semipinacol rearrangement. |
| Authors of publication | Xu, Ming-Hui; Dai, Kun-Long; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 55 |
| Pages of publication | 7685 - 7688 |
| a | 12.6134 ± 0.0003 Å |
| b | 8.4407 ± 0.0003 Å |
| c | 17.1212 ± 0.0005 Å |
| α | 90° |
| β | 94.76 ± 0.002° |
| γ | 90° |
| Cell volume | 1816.54 ± 0.09 Å3 |
| Cell temperature | 290.55 ± 0.16 K |
| Ambient diffraction temperature | 290.55 ± 0.16 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0573 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1311 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7121851.cif |
| 228062 | 2019-11-17 | cif/ Updating files of 7121851, 7121852 Original log message: Adding full bibliography for 7121851--7121852.cif. |
7121851.cif |
| 208497 | 2018-06-19 | cif/ Adding structures of 7121851, 7121852 via cif-deposit CGI script. |
7121851.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.