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Information card for entry 4518522
Preview
| Coordinates | 4518522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H19 N O3 |
|---|---|
| Calculated formula | C20 H19 N O3 |
| Title of publication | Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition |
| Authors of publication | Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 2684 - 2690 |
| a | 18.5023 ± 0.0007 Å |
| b | 7.8493 ± 0.0003 Å |
| c | 22.7256 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3300.4 ± 0.2 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 | 0.0695 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1526 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262407 (current) | 2021-03-03 | cif/ Adding structures of 4518522 via cif-deposit CGI script. |
4518522.cif |
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