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Information card for entry 7125661
Preview
| Coordinates | 7125661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H18 Br N O2 |
|---|---|
| Calculated formula | C25 H18 Br N O2 |
| Title of publication | Solvent-controlled divergent annulation of ynones and (iso)quinoline N-oxides: of 3-((iso)quinolin-1-yl)-4H-chromen-4-ones and 13H-isoquinolino[2,1-a]quinolin-13-ones. |
| Authors of publication | Yang, Wan-Wan; Chen, Lu-Lu; Chen, Pei; Ye, Ya-Fang; Wang, Yan-Bo; Zhang, Xiao |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 8 |
| Pages of publication | 1183 - 1186 |
| a | 7.411 ± 0.002 Å |
| b | 12.752 ± 0.004 Å |
| c | 21.926 ± 0.006 Å |
| α | 77.759 ± 0.008° |
| β | 88.648 ± 0.009° |
| γ | 85.507 ± 0.008° |
| Cell volume | 2018.7 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1752 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for significantly intense reflections | 0.148 |
| Weighted residual factors for all reflections included in the refinement | 0.1901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125661.cif |
| 247584 | 2020-02-04 | cif/ Updating files of 7125659, 7125660, 7125661 Original log message: Adding full bibliography for 7125659--7125661.cif. |
7125661.cif |
| 245228 | 2019-12-17 | cif/ Adding structures of 7125659, 7125660, 7125661 via cif-deposit CGI script. |
7125661.cif |
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Users of the data should acknowledge the original authors of the
structural data.