Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572917
Preview
| Coordinates | 1572917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 9,10-bis(4?-methoxyphenyl)-9,10-bis(trifluoromethyl)-9,10-dihydroanthracene |
|---|---|
| Formula | C30 H22 F6 O2 |
| Calculated formula | C30 H22 F6 O2 |
| SMILES | FC(F)(F)[C@]1(c2c(cccc2)[C@](c2c1cccc2)(C(F)(F)F)c1ccc(OC)cc1)c1ccc(OC)cc1 |
| Title of publication | The CF3TMS adduct of anthraquinone as a monomer for making polymers with potential as separation membranes |
| Authors of publication | Wu, Kim Jiayi; Tobin, John M.; Ji, Anli; Shi, Yang; Ye, Chunchun; Nichol, Gary S.; Fuoco, Alessio; Longo, Mariagiulia; Jansen, Johannes C.; McKeown, Neil B. |
| Journal of publication | Polymer Chemistry |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 42 |
| Pages of publication | 4312 - 4318 |
| a | 16.1886 ± 0.0017 Å |
| b | 9.8424 ± 0.001 Å |
| c | 16.2722 ± 0.0019 Å |
| α | 90° |
| β | 114.734 ± 0.004° |
| γ | 90° |
| Cell volume | 2354.9 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0285 |
| Weighted residual factors for all reflections included in the refinement | 0.032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0894 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296715 (current) | 2024-12-06 | cif/ Updating files of 1572917 Original log message: Adding full bibliography for 1572917.cif. |
1572917.cif |
| 295576 | 2024-10-22 | cif/ Adding structures of 1572917 via cif-deposit CGI script. |
1572917.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.