Information card for entry 7248803
| Formula |
C20 H22 N4 O8 |
| Calculated formula |
C20 H22 N4 O8 |
| 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 |
16.9699 ± 0.0004 Å |
| b |
17.1267 ± 0.0005 Å |
| c |
17.9029 ± 0.0003 Å |
| α |
63.782 ± 0.003° |
| β |
64.481 ± 0.002° |
| γ |
84.746 ± 0.002° |
| Cell volume |
4181.1 ± 0.2 Å3 |
| Cell temperature |
113.15 K |
| Ambient diffraction temperature |
113.15 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 |
0.0797 |
| Residual factor for significantly intense reflections |
0.0595 |
| Weighted residual factors for significantly intense reflections |
0.1476 |
| Weighted residual factors for all reflections included in the refinement |
0.1662 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7248803.html
