Information card for entry 7233740

Structure parameters

• Formula: C24 H19 F4 N
• Calculated formula: C24 H19 F4 N
• SMILES: Fc1c(F)cc(F)c(F)c1/C=C/c1ccc(cc1)/C=C/c1ccc(N(C)C)cc1
• Title of publication: Fluorine-induced J-aggregation enhances emissive properties of a new NLO push-pull chromophore
• Authors of publication: Chiara Botta; Elena Cariati; Gabriella Cavallo; Valentina Dichiarante; Alessandra Forni; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati; Stefania Righetto; Giancarlo Terraneo; Elisa Tordin
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 5275 - 5279
• a: 7.594 ± 0.005 Å
• b: 5.874 ± 0.004 Å
• c: 41.51 ± 0.03 Å
• α: 90°
• β: 94.302 ± 0.008°
• γ: 90°
• Cell volume: 1846 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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 all reflections: 0.1646
• Residual factor for significantly intense reflections: 0.1134
• Weighted residual factors for significantly intense reflections: 0.2673
• Weighted residual factors for all reflections included in the refinement: 0.2943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No