Information card for entry 4510394

Structure parameters

• Formula: C20 H16 F6 N2
• Calculated formula: C20 H16 F6 N2
• SMILES: FC(F)(F)c1cc(nc2c1ccc(N(C(C)C)c1ccccc1)c2)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: 7.637 ± 0.004 Å
• b: 15.587 ± 0.007 Å
• c: 16.449 ± 0.008 Å
• α: 90°
• β: 114.098 ± 0.005°
• γ: 90°
• Cell volume: 1787.4 ± 1.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No