Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7205012
Preview
Coordinates | 7205012.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | none |
---|---|
Chemical name | trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 2(dimethyl sulfoxide). 2(acetone) clathrate |
Formula | C44 H60 O6 S2 |
Calculated formula | C44.08 H48 O4 S2 |
Title of publication | Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration |
Authors of publication | Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2002 |
Journal issue | 12 |
Pages of publication | 1973 |
a | 8.9424 ± 0.0018 Å |
b | 9.1788 ± 0.0018 Å |
c | 14.345 ± 0.003 Å |
α | 72.25 ± 0.03° |
β | 79.8 ± 0.03° |
γ | 71.09 ± 0.03° |
Cell volume | 1056.9 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0935 |
Residual factor for significantly intense reflections | 0.0793 |
Weighted residual factors for significantly intense reflections | 0.2195 |
Weighted residual factors for all reflections included in the refinement | 0.2332 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/7205012.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.