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Information card for entry 1572490
Preview
| Coordinates | 1572490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H22 N2 |
|---|---|
| Calculated formula | C26 H22 N2 |
| SMILES | N12C(=NC(=CC2(c2cc3c(cccc3)cc2)C)c2ccccc2)C(C)=CC=C1 |
| Title of publication | CCC pincer Ru complex-catalyzed C-H vinylation/6π-E-cyclization of aldimines for constructing 4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidines. |
| Authors of publication | Cai, Heng; Tu, Yong-Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Lu, Ka; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 39 |
| Pages of publication | 16216 - 16221 |
| a | 10.892 ± 0.0003 Å |
| b | 20.1165 ± 0.0007 Å |
| c | 9.3605 ± 0.0003 Å |
| α | 90° |
| β | 104.195 ± 0.003° |
| γ | 90° |
| Cell volume | 1988.35 ± 0.11 Å3 |
| Cell temperature | 302.03 ± 0.1 K |
| Ambient diffraction temperature | 302.03 ± 0.1 K |
| Number of distinct elements | 3 |
| 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 | 0.0687 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1327 |
| Weighted residual factors for all reflections included in the refinement | 0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296398 (current) | 2024-12-06 | cif/ Updating files of 1572486, 1572487, 1572488, 1572489, 1572490, 1572491 Original log message: Adding full bibliography for 1572486--1572491.cif. |
1572490.cif |
| 294379 | 2024-09-05 | cif/ Adding structures of 1572486, 1572487, 1572488, 1572489, 1572490, 1572491 via cif-deposit CGI script. |
1572490.cif |
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Users of the data should acknowledge the original authors of the
structural data.