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Information card for entry 4031922
Preview
| Coordinates | 4031922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 7-phenyl-6H-chromeno[4,3-b]quinoline |
|---|---|
| Formula | C22 H15 N O |
| Calculated formula | C22 H15 N O |
| SMILES | c1cccc2OCc3c(c4ccccc4)c4ccccc4nc3c12 |
| Title of publication | Modular Copper-Catalyzed Synthesis of Chromeno[4,3-b]quinolines with the Utilization of Diaryliodonium Salts. |
| Authors of publication | Aradi, Klára; Bombicz, Petra; Novák, Zoltán |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 3 |
| Pages of publication | 920 - 931 |
| a | 5.7757 ± 0.0005 Å |
| b | 11.9628 ± 0.0012 Å |
| c | 11.9927 ± 0.0012 Å |
| α | 70.251 ± 0.003° |
| β | 89.805 ± 0.002° |
| γ | 87.3 ± 0.002° |
| Cell volume | 778.95 ± 0.13 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 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 | 0.0837 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1539 |
| Weighted residual factors for all reflections included in the refinement | 0.1962 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4031922.cif |
| 177259 | 2016-03-04 | cif/ Adding structures of 4031922 via cif-deposit CGI script. |
4031922.cif |
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Users of the data should acknowledge the original authors of the
structural data.