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Information card for entry 7239929
Preview
| Coordinates | 7239929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H21 N3 |
|---|---|
| Calculated formula | C15 H21 N3 |
| SMILES | N#CC(=C(NC(C)C)NC(C)C)c1ccccc1 |
| Title of publication | Temperature controlled condensation of nitriles: efficient and convenient synthesis of β-enaminonitriles, 4-aminopyrimidines and 4-amidinopyrimidines in one system |
| Authors of publication | Li, Yinghua; Zhu, Yingzu; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Huang, Deguang |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 11 |
| Pages of publication | 6576 - 6583 |
| a | 9.897 ± 0.0003 Å |
| b | 9.847 ± 0.0003 Å |
| c | 14.2912 ± 0.0005 Å |
| α | 90° |
| β | 93.032 ± 0.003° |
| γ | 90° |
| Cell volume | 1390.81 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0559 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1314 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7239929.cif |
| 258133 | 2020-10-06 | cif/ Updating files of 7239928, 7239929, 7239930, 7239931, 7239932, 7239933, 7239934, 7239935, 7239936 Original log message: Adding full bibliography for 7239928--7239936.cif. |
7239929.cif |
| 248116 | 2020-02-13 | cif/ Adding structures of 7239928, 7239929, 7239930, 7239931, 7239932, 7239933, 7239934, 7239935, 7239936 via cif-deposit CGI script. |
7239929.cif |
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Users of the data should acknowledge the original authors of the
structural data.