Information card for entry 1503638
| Formula |
C42 H40 Br2 N6 O6 |
| Calculated formula |
C42 H40 Br2 N6 O6 |
| Title of publication |
Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction. |
| Authors of publication |
Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng |
| Journal of publication |
Journal of combinatorial chemistry |
| Year of publication |
2009 |
| Journal volume |
11 |
| Journal issue |
2 |
| Pages of publication |
310 - 314 |
| a |
7.147 ± 0.001 Å |
| b |
12.501 ± 0.0014 Å |
| c |
13.094 ± 0.0016 Å |
| α |
118.506 ± 0.002° |
| β |
99.047 ± 0.001° |
| γ |
93.074 ± 0.001° |
| Cell volume |
1004 ± 0.2 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 |
0.1175 |
| Residual factor for significantly intense reflections |
0.0602 |
| Weighted residual factors for significantly intense reflections |
0.1406 |
| Weighted residual factors for all reflections included in the refinement |
0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.055 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1503638.html
