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Information card for entry 1554872
Preview
| Coordinates | 1554872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H29 N3 O4 |
|---|---|
| Calculated formula | C28 H29 N3 O4 |
| SMILES | O(c1ccc([C@@H]2N[C@@H]([C@H]([C@@H]2C(=O)N2CCc3c2nccc3)c2c(cccc2)C)C(=O)OC)cc1)C |
| Title of publication | A AgOAc/quinine-derived aminophosphine complex as an efficient catalyst for diastereo- and enantioselective 1,3-dipolar cycloaddition of α,β-unsaturated 7-azaindoline amides and azomethine ylides |
| Authors of publication | Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhou, Xiao-Jian; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 1879 |
| a | 7.807 ± 0.0003 Å |
| b | 15.9924 ± 0.0005 Å |
| c | 10.5193 ± 0.0004 Å |
| α | 90° |
| β | 109.003 ± 0.004° |
| γ | 90° |
| Cell volume | 1241.79 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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 |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554872.cif |
| 238168 | 2019-11-24 | cif/ Adding structures of 1554872 via cif-deposit CGI script. |
1554872.cif |
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Users of the data should acknowledge the original authors of the
structural data.