Information card for entry 7223874

Structure parameters

• Formula: C30 H14 F2 N4
• Calculated formula: C30 H14 F2 N4
• SMILES: C(=C(c1ccc(F)cc1)c1ccc(F)cc1)C=C1C(=C(C#N)C#N)c2ccccc2C1=C(C#N)C#N
• Title of publication: Butadiene dyes based on 3-(dicyanomethylidene)indan-1-one and 1,3-bis(dicyanomethylidene)indane: Synthesis, characterization and solvatochromic behaviour
• Authors of publication: Francos, Javier; García-Garrido, Sergio E; Borge, Javier; Suárez, Francisco J; Cadierno, Victorio
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.4077 ± 0.0002 Å
• b: 9.7318 ± 0.0003 Å
• c: 22.3871 ± 0.0006 Å
• α: 89.248 ± 0.002°
• β: 89.554 ± 0.003°
• γ: 80.152 ± 0.003°
• Cell volume: 1160.68 ± 0.06 ų
• Cell temperature: 297 ± 3 K
• Ambient diffraction temperature: 297 ± 3 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 all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No