Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117192
Preview
| Coordinates | 7117192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H18 F6 O6 |
|---|---|
| Calculated formula | C24 H18 F6 O6 |
| SMILES | FC(=C(F)F)Oc1ccc(CC2(C(=O)OC(OC2=O)(C)C)Cc2ccc(OC(=C(F)F)F)cc2)cc1 |
| Title of publication | Utilization of a Meldrum's acid towards functionalized fluoropolymers possessing dual reactivity for thermal crosslinking and post-polymerization modification |
| Authors of publication | Jingbo Wu; Scott T. Iacono; Gregory T. McCandless; Dennis W. Smith; Bruce M. Novak |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 9220 |
| a | 8.917 ± 0.003 Å |
| b | 11.888 ± 0.004 Å |
| c | 12.165 ± 0.004 Å |
| α | 62.137 ± 0.007° |
| β | 81.719 ± 0.007° |
| γ | 78.834 ± 0.007° |
| Cell volume | 1116.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0763 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117192.cif |
| 137153 | 2015-05-21 | cif/ Adding structures of 7117192 via cif-deposit CGI script. |
7117192.cif |
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.