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Information card for entry 4038394
Preview
| Coordinates | 4038394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H23 N O |
|---|---|
| Calculated formula | C28 H23 N O |
| Title of publication | Ligand-Free Pd-Catalyzed Synthesis of 3-Allylbenzofurans by Merging Decarboxylative Allylation and Nucleophilic Cyclization. |
| Authors of publication | Zhang, Jie; Wang, Jia-Yin; Huang, Min-Hua; Hao, Wen-Juan; Tu, Xing-Chao; Tu, Shu-Jiang; Jiang, Bo |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 4.9482 ± 0.0006 Å |
| b | 26.28 ± 0.003 Å |
| c | 32.363 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4208.4 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1883 |
| Residual factor for significantly intense reflections | 0.1172 |
| Weighted residual factors for significantly intense reflections | 0.3104 |
| Weighted residual factors for all reflections included in the refinement | 0.3626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252183 (current) | 2020-05-20 | cif/ Adding structures of 4038394 via cif-deposit CGI script. |
4038394.cif |
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Users of the data should acknowledge the original authors of the
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