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Information card for entry 7239323
Preview
| Coordinates | 7239323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H34 N8 O8 |
|---|---|
| Calculated formula | C46 H32 N8 O8 |
| Title of publication | Catalyst-free synthesis of benzofuran-fused pyrido[4,3-d]pyrimidines from 2-(2-hydroxyaryl)acetonitrile and 4,6-dichloropyrimidine-5-carbaldehyde through domino condensation reactions |
| Authors of publication | Li, Bo; Yue, Zhizhou; Xiang, Haoyue; Lv, Linlin; Song, Shanshan; Miao, Zehong; Yang, Chunhao |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 1 |
| Pages of publication | 358 |
| a | 3.8285 ± 0.0015 Å |
| b | 21.348 ± 0.008 Å |
| c | 22.566 ± 0.01 Å |
| α | 78.7 ± 0.03° |
| β | 90° |
| γ | 90° |
| Cell volume | 1808.6 ± 1.3 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 | 0.3507 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.759 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244651 (current) | 2019-11-28 | cif/ Adding structures of 7239322, 7239323 via cif-deposit CGI script. |
7239323.cif |
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Users of the data should acknowledge the original authors of the
structural data.