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Information card for entry 7124347
Preview
| Coordinates | 7124347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H19 Br N2 O6 |
|---|---|
| Calculated formula | C20 H19 Br N2 O6 |
| Title of publication | Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of α-N-Heterocyclic Acrylates with Vinyl Epoxides for Construction of Isonucleoside Analogs |
| Authors of publication | Huang, Ke-Xin; Xie, Ming-Sheng; Wang, Dong-Chao; Sang, Ji-Wei; Qu, Gui-Rong; Guo, Hai-Ming |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 8.7439 ± 0.0001 Å |
| b | 12.3456 ± 0.0002 Å |
| c | 18.3547 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1981.37 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0262 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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 |
|---|---|---|---|
| 219430 (current) | 2019-10-19 | cif/ Adding structures of 7124347, 7124348 via cif-deposit CGI script. |
7124347.cif |
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