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Information card for entry 7248297
Preview
| Coordinates | 7248297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H19 N5 |
|---|---|
| Calculated formula | C15 H19 N5 |
| SMILES | n1c(nc(nc1c1ccc(cc1)C)N1CCCCC1)N |
| Title of publication | 6-Aryl-4-cycloamino-1,3,5-triazine-2-amines: synthesis, antileukemic activity, and 3D-QSAR modelling |
| Authors of publication | Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Tiekink, Edward R. T.; Dolzhenko, Anton V. |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 8264 - 8282 |
| a | 8.867 ± 0.0001 Å |
| b | 7.143 ± 0.0001 Å |
| c | 22.2918 ± 0.0003 Å |
| α | 90° |
| β | 90.537 ± 0.001° |
| γ | 90° |
| Cell volume | 1411.83 ± 0.03 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0397 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290442 (current) | 2024-03-12 | cif/ Adding structures of 7248297 via cif-deposit CGI script. |
7248297.cif |
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Users of the data should acknowledge the original authors of the
structural data.