Information card for entry 2008792
| Chemical name |
4,6-Bis(benzyloxy)-1,3,5-triazin-2-amine |
| Formula |
C17 H16 N4 O2 |
| Calculated formula |
C17 H16 N4 O2 |
| SMILES |
c1(nc(nc(N)n1)OCc1ccccc1)OCc1ccccc1 |
| Title of publication |
4,6-Bis(benzyloxy)-1,3,5-triazin-2-ylamine |
| Authors of publication |
Bolte, Michael; Sommer, Andrea; Noe, Christian Roland |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1999 |
| Journal volume |
55 |
| Journal issue |
8 |
| Pages of publication |
1304 - 1306 |
| a |
5.2214 ± 0.0001 Å |
| b |
13.1487 ± 0.0002 Å |
| c |
13.4792 ± 0.0002 Å |
| α |
119.075 ± 0.001° |
| β |
91.46 ± 0.001° |
| γ |
90.094 ± 0.001° |
| Cell volume |
808.43 ± 0.02 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 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 |
0.0522 |
| Residual factor for significantly intense reflections |
0.0429 |
| Weighted residual factors for all reflections |
0.1201 |
| Weighted residual factors for significantly intense reflections |
0.1114 |
| Weighted residual factors for all reflections included in the refinement |
0.1201 |
| Goodness-of-fit parameter for all reflections |
1.13 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.13 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2008792.html
