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Information card for entry 7124348
Preview
| Coordinates | 7124348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H18 Cl N5 O3 |
|---|---|
| Calculated formula | C15 H18 Cl N5 O3 |
| 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 | 11.5414 ± 0.0002 Å |
| b | 7.3357 ± 0.0001 Å |
| c | 19.5853 ± 0.0003 Å |
| α | 90° |
| β | 100.033 ± 0.002° |
| γ | 90° |
| Cell volume | 1632.82 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | I 1 2 1 |
| Hall space group symbol | I 2y |
| Residual factor for all reflections | 0.0264 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
7124348.cif |
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Users of the data should acknowledge the original authors of the
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