Information card for entry 1558974
| Chemical name |
Phenol Pentafluorophenol |
| Formula |
C12 H7 F5 O2 |
| Calculated formula |
C12 H7 F5 O2 |
| SMILES |
Oc1c(F)c(F)c(F)c(F)c1F.Oc1ccccc1 |
| Title of publication |
‘Sacrificial’ Supramolecular Assembly and Pressure-Induced Polymerization: Toward Sequence-Defined Functionalized Nanothreads |
| Authors of publication |
Gerthoffer, Margaret C.; Wu, Sikai; Chen, Bo; Wang, Tao; Huss, Steven; Oburn, Shalisa M.; Crespi, Vincent; Badding, John; Elacqua, Elizabeth |
| Journal of publication |
Chemical Science |
| Year of publication |
2020 |
| a |
7.4348 ± 0.0006 Å |
| b |
23.1324 ± 0.0018 Å |
| c |
20.2671 ± 0.0016 Å |
| α |
90° |
| β |
90.377 ± 0.001° |
| γ |
90° |
| Cell volume |
3485.6 ± 0.5 Å3 |
| Cell temperature |
298 ± 2 K |
| Ambient diffraction temperature |
298.15 K |
| Number of distinct elements |
4 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0446 |
| Residual factor for significantly intense reflections |
0.0333 |
| Weighted residual factors for significantly intense reflections |
0.08 |
| Weighted residual factors for all reflections included in the refinement |
0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1558974.html
