Information card for entry 7055598

Structure parameters

• Formula: C21 H5 F10 N O
• Calculated formula: C21 H5 F10 N O
• SMILES: c1(ccc(/C=C/c2c(c(c(c(c2F)F)F)F)F)o1)/C=C(\C#N)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Topological and packing mode modification for solid-state emission enhancement of bis(perfluorostyryl)furan derivatives
• Authors of publication: Faurie, Alexandre; Mallet, Charlotte; Allain, Magali; Skene, W. G.; Frère, Pierre
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 6728
• a: 7.495 ± 0.001 Å
• b: 8.509 ± 0.001 Å
• c: 16.398 ± 0.003 Å
• α: 91.72 ± 0.02°
• β: 101.45 ± 0.01°
• γ: 116.12 ± 0.01°
• Cell volume: 912.1 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1915
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No