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Information card for entry 7238052
Preview
| Coordinates | 7238052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H34 N10 O4 |
|---|---|
| Calculated formula | C44 H34 N10 O4 |
| Title of publication | Metal-free synthesis of 1,N6-ethenoadenines from N6-propargyl-adenines via NIS mediated radical cascade reaction |
| Authors of publication | Yang, Ruchun; Deng, Si; Dong, Xiang-you; Song, Xianrong; Cai, Hu; Bai, Jiang; Xiao, Qiang |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 66 |
| Pages of publication | 38897 |
| a | 20.554 ± 0.002 Å |
| b | 7.7056 ± 0.0008 Å |
| c | 23.283 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3687.6 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1028 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1531 |
| Weighted residual factors for all reflections included in the refinement | 0.173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243772 (current) | 2019-11-27 | cif/ Adding structures of 7238052 via cif-deposit CGI script. |
7238052.cif |
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Users of the data should acknowledge the original authors of the
structural data.