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Information card for entry 7247843
Preview
| Coordinates | 7247843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H23 N O6 |
|---|---|
| Calculated formula | C26 H23 N O6 |
| SMILES | c1(c(c(c2c3ccccc3c(c(c3ccccc3)n12)CC)C(=O)OC)C(=O)OC)C(=O)OC |
| Title of publication | A domino reaction for the synthesis of pyrrolo[2,1-a]isoquinolines from 2-aryl-pyrrolidines and alkynes promoted by a four-component catalytic system under aerobic conditions |
| Authors of publication | Luo, Zheng; Hu, Huayou; Wang, Chao; Yang, Zhen; Wang, Yefei |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 50 |
| Pages of publication | 35617 - 35620 |
| a | 11.3722 ± 0.0004 Å |
| b | 10.3911 ± 0.0004 Å |
| c | 18.8309 ± 0.0008 Å |
| α | 90° |
| β | 96.105 ± 0.002° |
| γ | 90° |
| Cell volume | 2212.62 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0701 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288110 (current) | 2023-12-07 | cif/ Adding structures of 7247842, 7247843 via cif-deposit CGI script. |
7247843.cif |
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Users of the data should acknowledge the original authors of the
structural data.