Information card for entry 7248800
| Formula |
C38 H44 N8 O12 S2 |
| Calculated formula |
C38 H44 N8 O12 S2 |
| 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 |
12.2812 ± 0.0002 Å |
| b |
11.5143 ± 0.0002 Å |
| c |
14.0952 ± 0.0002 Å |
| α |
90° |
| β |
107.887 ± 0.002° |
| γ |
90° |
| Cell volume |
1896.85 ± 0.06 Å3 |
| Cell temperature |
113.15 K |
| Ambient diffraction temperature |
113.15 K |
| Number of distinct elements |
5 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0402 |
| Residual factor for significantly intense reflections |
0.0365 |
| Weighted residual factors for significantly intense reflections |
0.095 |
| Weighted residual factors for all reflections included in the refinement |
0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
| 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/7248800.html
