Information card for entry 4510393

Structure parameters

• 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 ų
• 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