Information card for entry 7055600

Structure parameters

• Formula: C13 H5 F5 O2
• Calculated formula: C13 H5 F5 O2
• SMILES: C(=O)c1ccc(/C=C/c2c(c(c(c(c2F)F)F)F)F)o1
• 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: 6.634 ± 0.002 Å
• b: 4.733 ± 0.002 Å
• c: 18.468 ± 0.006 Å
• α: 90°
• β: 92.01 ± 0.03°
• γ: 90°
• Cell volume: 579.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No