Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1520168
Preview
Coordinates | 1520168.cif |
---|
Chemical name | Glutaric acid & 1,1,3,3-tetramethylbutylamine |
---|---|
Formula | C47 H100 N4 O12 |
Calculated formula | C47 H100 N4 O12 |
Title of publication | Di-1,1,3,3-tetramethylbutylammonium glutarate hemiglutaric acid |
Authors of publication | Callear, Samantha K.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 524 |
a | 23.089 ± 0.007 Å |
b | 6.403 ± 0.002 Å |
c | 18.496 ± 0.006 Å |
α | 90° |
β | 94.025 ± 0.003° |
γ | 90° |
Cell volume | 2727.7 ± 1.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1268 |
Weighted residual factors for all reflections included in the refinement | 0.1331 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.6911 Å |
Diffraction radiation type | synchrotron |
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/1520168.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.