Information card for entry 4510398

Structure parameters

• Formula: C19 H14 F6 N2
• Calculated formula: C19 H14 F6 N2
• SMILES: c1c(ccc2c(C(F)(F)F)cc(C(F)(F)F)nc12)N(c1ccccc1)CC
• 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: 8.858 ± 0.003 Å
• b: 9.351 ± 0.003 Å
• c: 11.404 ± 0.004 Å
• α: 81.884 ± 0.004°
• β: 89.636 ± 0.004°
• γ: 65.688 ± 0.003°
• Cell volume: 850.8 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No