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Information card for entry 7155839
Preview
| Coordinates | 7155839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H26 N4 O7 |
|---|---|
| Calculated formula | C28 H26 N4 O7 |
| SMILES | c1cc(ccc1[C@@H]1C(=C2N(C(=C1C(=O)OCC)C(=O)OCC)[C@@H](C(=O)N2)CCc1ccccc1)C#N)N(=O)=O |
| Title of publication | Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction |
| Authors of publication | Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 26.9454 ± 0.0014 Å |
| b | 5.9941 ± 0.0003 Å |
| c | 20.0378 ± 0.001 Å |
| α | 90° |
| β | 121.992 ± 0.001° |
| γ | 90° |
| Cell volume | 2744.8 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.2013 |
| Residual factor for significantly intense reflections | 0.1195 |
| Weighted residual factors for significantly intense reflections | 0.2668 |
| Weighted residual factors for all reflections included in the refinement | 0.3179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199848 (current) | 2017-08-19 | cif/ Adding structures of 7155833, 7155834, 7155835, 7155836, 7155837, 7155838, 7155839, 7155840 via cif-deposit CGI script. |
7155839.cif |
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Users of the data should acknowledge the original authors of the
structural data.