Information card for entry 4510393
| Formula |
C18 H12 F6 N2 |
| Calculated formula |
C18 H12 F6 N2 |
| SMILES |
c12c(cc(cc2)N(c2ccccc2)C)nc(cc1C(F)(F)F)C(F)(F)F |
| Title of publication |
Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli |
| Authors of publication |
Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2014 |
| Journal volume |
14 |
| Journal issue |
5 |
| Pages of publication |
2468 |
| a |
9.616 ± 0.003 Å |
| b |
9.852 ± 0.003 Å |
| c |
18.004 ± 0.007 Å |
| α |
103.332 ± 0.005° |
| β |
98.571 ± 0.005° |
| γ |
105.946 ± 0.004° |
| Cell volume |
1554.2 ± 0.9 Å3 |
| Cell temperature |
90 K |
| Ambient diffraction temperature |
90 ± 1 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 significantly intense reflections |
0.0456 |
| Weighted residual factors for all reflections included in the refinement |
0.1331 |
| 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/4510393.html
