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Information card for entry 7239102
Preview
| Coordinates | 7239102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H22 N4 O |
|---|---|
| Calculated formula | C19 H22 N4 O |
| Title of publication | Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines |
| Authors of publication | Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 46 |
| Pages of publication | 24001 |
| a | 9.666 ± 0.01 Å |
| b | 10.849 ± 0.011 Å |
| c | 15.997 ± 0.016 Å |
| α | 90° |
| β | 100.738 ± 0.019° |
| γ | 90° |
| Cell volume | 1648 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0896 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1773 |
| Weighted residual factors for all reflections included in the refinement | 0.2063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239102.cif |
| 244546 | 2019-11-28 | cif/ Adding structures of 7239101, 7239102, 7239103, 7239104 via cif-deposit CGI script. |
7239102.cif |
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Users of the data should acknowledge the original authors of the
structural data.