Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7102672
Preview
Coordinates | 7102672.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | p-tert-butyl-calix(4)arene*fluorobenzene |
---|---|
Chemical name | p-tert-butyl-calix[4]arene*fluorobenzene |
Formula | C50 H61 F O4 |
Calculated formula | C50 H61 F O4 |
Title of publication | Electrostatic and short-range interactions compete in directing the structure of p-tert-butylcalix[4]arene inclusion compounds of fluorinated benzenes. |
Authors of publication | Enright, Gary D; Udachin, Konstantin A; Ripmeester, John A |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2004 |
Journal issue | 12 |
Pages of publication | 1360 - 1361 |
a | 12.8581 ± 0.0002 Å |
b | 12.8581 ± 0.0002 Å |
c | 13.2833 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2196.14 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 85 |
Hermann-Mauguin space group symbol | P 4/n :2 |
Hall space group symbol | -P 4a |
Residual factor for all reflections | 0.068 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.1475 |
Weighted residual factors for all reflections included in the refinement | 0.1629 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7102672.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.