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Information card for entry 7239101
Preview
| Coordinates | 7239101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 N3 O |
|---|---|
| Calculated formula | C16 H13 N3 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 | 8.5996 ± 0.0013 Å |
| b | 14.555 ± 0.002 Å |
| c | 20.633 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2582.6 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1025 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244546 (current) | 2019-11-28 | cif/ Adding structures of 7239101, 7239102, 7239103, 7239104 via cif-deposit CGI script. |
7239101.cif |
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Users of the data should acknowledge the original authors of the
structural data.