Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7114864
Preview
Coordinates | 7114864.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | none |
---|---|
Chemical name | trans-9,10-dihydroxy-9,10-di-p-tert-butylphenyl-9,10-dihydroanthracene. 1(N,N-dimethylformamide). 3(dimethyl sulfoxide) clathrate |
Formula | C43 H61 N O6 S3 |
Calculated formula | C43 H48 N O6 S3 |
Title of publication | Tunable clathrates |
Authors of publication | Caira, Mino R.; Roex, Tanya le; Nassimbeni, Luigi R. |
Journal of publication | Chemical Communications |
Year of publication | 2001 |
Journal issue | 20 |
Pages of publication | 2128 |
a | 9.046 ± 0.0002 Å |
b | 9.1291 ± 0.0002 Å |
c | 14.409 ± 0.001 Å |
α | 72.559 ± 0.001° |
β | 80.132 ± 0.001° |
γ | 71.486 ± 0.002° |
Cell volume | 1072.64 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1082 |
Residual factor for significantly intense reflections | 0.0931 |
Weighted residual factors for significantly intense reflections | 0.2981 |
Weighted residual factors for all reflections included in the refinement | 0.312 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.5 |
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/7114864.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.