Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4508401
Preview
Coordinates | 4508401.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H30 Cl N O3 |
---|---|
Calculated formula | C25 H30 Cl N O3 |
Title of publication | Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder |
Authors of publication | Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 12 |
Pages of publication | 5193 |
a | 9.1551 ± 0.001 Å |
b | 10.9184 ± 0.0013 Å |
c | 11.0126 ± 0.0012 Å |
α | 90° |
β | 101.042 ± 0.011° |
γ | 90° |
Cell volume | 1080.4 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0895 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for all reflections | 0.16 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.16 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9983 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4508401.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.