Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052692
Preview
Coordinates | 7052692.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | 1,4-bis(9-hydroxyfluoren-9-yl)benzene. 3-picoline clathrate |
---|---|
Chemical name | 1,4-bis(9-hydroxyfluoren-9-yl)benzene. 3-picoline clathrate |
Formula | C44 H36 N2 O2 |
Calculated formula | C44 H36 N2 O2 |
SMILES | OC1(c2ccc(C3(O)c4ccccc4c4ccccc34)cc2)c2ccccc2c2ccccc12.n1cc(ccc1)C.n1cc(ccc1)C |
Title of publication | Enclathration of bases by a fluorenyl host: structure, stability and selectivity |
Authors of publication | Bourne, Susan A.; Corin, Kirsten; Cruickshank, Dyanne L.; Davson, Jessica; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 7 |
Pages of publication | 1556 |
a | 9.4854 ± 0.0002 Å |
b | 13.3617 ± 0.0003 Å |
c | 14.0639 ± 0.0004 Å |
α | 82.287 ± 0.001° |
β | 81.067 ± 0.001° |
γ | 72.23 ± 0.001° |
Cell volume | 1669.69 ± 0.07 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 | 0.085 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.107 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
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/7052692.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.