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Information card for entry 7235218
Preview
| Coordinates | 7235218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H20 Br N5 O |
|---|---|
| Calculated formula | C17 H20 Br N5 O |
| Title of publication | A one-pot synthesis of N2,6-diaryl-5,6-dihydro-1,3,5-triazine-2,4-diamines and systematic evaluation of their ability to host ethanol in crystals |
| Authors of publication | Junaid, Ahmad; Tan, Yee Seng; Tiekink, Edward R. T.; Dolzhenko, Anton V. |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 64 |
| Pages of publication | 37660 |
| a | 12.7568 ± 0.0004 Å |
| b | 9.7768 ± 0.0003 Å |
| c | 15.1645 ± 0.0004 Å |
| α | 90° |
| β | 109.622 ± 0.003° |
| γ | 90° |
| Cell volume | 1781.49 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231075 (current) | 2019-11-20 | cif/ Adding structures of 7235217, 7235218, 7235219 via cif-deposit CGI script. |
7235218.cif |
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Users of the data should acknowledge the original authors of the
structural data.