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Information card for entry 1554908
Preview
| Coordinates | 1554908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H19 N O |
|---|---|
| Calculated formula | C24 H19 N O |
| SMILES | N1=C2c3ccccc3OCC2(/C=C/c2ccccc2)Cc2c1cccc2 |
| Title of publication | Synthesis of chromeno[4,3-b]quinolines and spirobenzofuran-3,3′-quinolines through silver-mediated Appel reaction/C–Br bond cleavage/double selective rearrangement sequence |
| Authors of publication | Zhao, Hong-Ping; Ma, Xiao-Pan; Nie, Shu-Min; Xiao, Yuhong; Mo, Dong-Liang |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 14 |
| Pages of publication | 2334 |
| a | 10.273 ± 0.004 Å |
| b | 10.178 ± 0.004 Å |
| c | 16.954 ± 0.007 Å |
| α | 90° |
| β | 99.61 ± 0.006° |
| γ | 90° |
| Cell volume | 1747.8 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
1554908.cif |
| 238198 | 2019-11-24 | cif/ Adding structures of 1554908 via cif-deposit CGI script. |
1554908.cif |
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Users of the data should acknowledge the original authors of the
structural data.