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Information card for entry 7160593
Preview
| Coordinates | 7160593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H17 N3 O2 |
|---|---|
| Calculated formula | C20 H17 N3 O2 |
| Title of publication | Regioselective Double Dehydrative Cyclization Route to Polyheterocyclic Skeletons Consisting of 2,3-Dihydroquinazolin-4(1H)-ones and 1,2-Dihydropyrrolo[1,2-a]pyrazines |
| Authors of publication | Ku, Dohui; Song, Seoyoung; Kim, Ikyon |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.809 ± 0.003 Å |
| b | 9.962 ± 0.004 Å |
| c | 11.501 ± 0.004 Å |
| α | 99.417 ± 0.004° |
| β | 109.569 ± 0.004° |
| γ | 95.765 ± 0.004° |
| Cell volume | 820 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0701 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300084 (current) | 2025-06-14 | cif/ Adding structures of 7160593, 7160594 via cif-deposit CGI script. |
7160593.cif |
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Users of the data should acknowledge the original authors of the
structural data.