Information card for entry 7248801
| Formula |
C34 H42 N10 O11 |
| Calculated formula |
C34 H42 N10 O11 |
| Title of publication |
Theoretical and experimental study of pharmaceutical salts: A case of Trimethoprim |
| Authors of publication |
Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei |
| Journal of publication |
CrystEngComm |
| Year of publication |
2024 |
| a |
10.6038 ± 0.0007 Å |
| b |
12.9331 ± 0.0011 Å |
| c |
14.4781 ± 0.0008 Å |
| α |
67.818 ± 0.006° |
| β |
84.598 ± 0.005° |
| γ |
84.69 ± 0.006° |
| Cell volume |
1826.9 ± 0.2 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 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 |
0.0983 |
| Residual factor for significantly intense reflections |
0.06 |
| Weighted residual factors for significantly intense reflections |
0.1517 |
| Weighted residual factors for all reflections included in the refinement |
0.1786 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7248801.html
