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Information card for entry 1555023
Preview
| Coordinates | 1555023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H17 N O2 |
|---|---|
| Calculated formula | C24 H17 N O2 |
| SMILES | c1cccc2c1cc1c([C@H]([C@H](c3ccccc3)OC1=O)c1ccccc1)n2.c1cccc2c1cc1c([C@@H]([C@@H](c3ccccc3)OC1=O)c1ccccc1)n2 |
| Title of publication | One-pot synthesis of pyranoquinolin-1-ones via Rh(iii)-catalysed redox annulation of 3-carboxyquinolines and alkynes |
| Authors of publication | Yang, Zhijia; Pi, Chao; Cui, Xiuling; Wu, Yangjie |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 16 |
| Pages of publication | 2897 |
| a | 11.0804 ± 0.0003 Å |
| b | 12.2799 ± 0.0005 Å |
| c | 13.6018 ± 0.0004 Å |
| α | 75.764 ± 0.003° |
| β | 84.604 ± 0.003° |
| γ | 89.194 ± 0.003° |
| Cell volume | 1785.88 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1555023.cif |
| 238276 | 2019-11-24 | cif/ Adding structures of 1555023, 1555024, 1555025 via cif-deposit CGI script. |
1555023.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.