Information card for entry 7242873
| Formula |
C31 H37 N4 O2 S |
| Calculated formula |
C31 H37 N4 O2 S |
| Title of publication |
Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives |
| Authors of publication |
Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul |
| Journal of publication |
RSC Medicinal Chemistry |
| Year of publication |
2021 |
| a |
10.221 ± 0.005 Å |
| b |
13.97 ± 0.009 Å |
| c |
21.807 ± 0.013 Å |
| α |
79.88 ± 0.02° |
| β |
76.458 ± 0.013° |
| γ |
68.561 ± 0.013° |
| Cell volume |
2804 ± 3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 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 |
0.5005 |
| Residual factor for significantly intense reflections |
0.1731 |
| Weighted residual factors for significantly intense reflections |
0.3161 |
| Weighted residual factors for all reflections included in the refinement |
0.4787 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.011 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7242873.html
