Information card for entry 7248799
Formula |
C23 H27 N5 O7 |
Calculated formula |
C23 H27 N5 O7 |
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 |
12.0964 ± 0.0003 Å |
b |
9.7449 ± 0.0002 Å |
c |
20.4019 ± 0.0006 Å |
α |
90° |
β |
101.15 ± 0.002° |
γ |
90° |
Cell volume |
2359.54 ± 0.1 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.1613 |
Residual factor for significantly intense reflections |
0.0944 |
Weighted residual factors for significantly intense reflections |
0.1802 |
Weighted residual factors for all reflections included in the refinement |
0.2138 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.062 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7248799.html