Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108235
Preview
Coordinates | 4108235.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H42 F10 O10 |
---|---|
Calculated formula | C52 H42 F10 O10 |
SMILES | C(#CCOC(=O)c1ccc(cc1)OCCCCCC)C#CCOC(=O)c1ccc(cc1)OCCCCCC.C(#CCOC(=O)c1c(c(c(c(c1F)F)F)F)F)C#CCOC(=O)c1c(c(c(c(c1F)F)F)F)F |
Title of publication | Soluble Poly(diacetylene)s Using the Perfluorophenyl-Phenyl Motif as a Supramolecular Synthon |
Authors of publication | Rui Xu; W. Bernd Schweizer; Holger Frauenrath |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 11437 - 11445 |
a | 5.9343 ± 0.0001 Å |
b | 7.4644 ± 0.0001 Å |
c | 27.3032 ± 0.0005 Å |
α | 97.839 ± 0.001° |
β | 90.534 ± 0.001° |
γ | 93.184 ± 0.001° |
Cell volume | 1196.1 ± 0.03 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 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 | 0.0937 |
Residual factor for significantly intense reflections | 0.0732 |
Weighted residual factors for significantly intense reflections | 0.2069 |
Weighted residual factors for all reflections included in the refinement | 0.2269 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.7107 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/4108235.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.