Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247960
Preview
Coordinates | 7247960.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Domperidone mandelate |
---|---|
Chemical name | Domperidone mandelate |
Formula | C30 H32.24 Cl N5 O5 |
Calculated formula | C30 H32.237 Cl N5 O5 |
Title of publication | New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts |
Authors of publication | Nechipadappu, Sunil Kumar; Swain, Debasish |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 7 |
Pages of publication | 926 - 942 |
a | 9.454 ± 0.002 Å |
b | 12.248 ± 0.003 Å |
c | 12.77 ± 0.003 Å |
α | 90.05 ± 0.007° |
β | 107.616 ± 0.006° |
γ | 98.32 ± 0.006° |
Cell volume | 1392.9 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1641 |
Residual factor for significantly intense reflections | 0.0666 |
Weighted residual factors for significantly intense reflections | 0.1591 |
Weighted residual factors for all reflections included in the refinement | 0.2057 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7247960.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.