Information card for entry 2221185
| Formula |
C21 H24 Br2 N2 O3 |
| Calculated formula |
C21 H24 Br2 N2 O3 |
| SMILES |
Brc1c2NC(N(Cc2cc(Br)c1)C1CCC(O)CC1)c1c(O)c(OC)ccc1 |
| Title of publication |
2-[6,8-Dibromo-3-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinazolin-2-yl]-6-methoxyphenol |
| Authors of publication |
Wang, Zhi-Gang; Wang, Rong; Zhang, Yi; Zhi, Feng; Yang, Yi-Lin |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2009 |
| Journal volume |
65 |
| Journal issue |
3 |
| Pages of publication |
o550 |
| a |
8.695 ± 0.002 Å |
| b |
11.124 ± 0.003 Å |
| c |
12.09 ± 0.002 Å |
| α |
73.87 ± 0.003° |
| β |
78.226 ± 0.003° |
| γ |
67.031 ± 0.002° |
| Cell volume |
1028.2 ± 0.4 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0719 |
| Residual factor for significantly intense reflections |
0.0423 |
| Weighted residual factors for significantly intense reflections |
0.0869 |
| Weighted residual factors for all reflections included in the refinement |
0.0962 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.018 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2221185.html
