Information card for entry 4510397

Structure parameters

• Formula: C19 H14 F6 N2
• Calculated formula: C19 H14 F6 N2
• SMILES: FC(F)(F)c1nc2c(ccc(N(c3ccccc3)CC)c2)c(c1)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: 21.797 ± 0.005 Å
• b: 4.7866 ± 0.0011 Å
• c: 31.64 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3301.1 ± 1.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No