Information card for entry 2019386

Structure parameters

• Chemical name: (2<i>E</i>,2'<i>E</i>)-1,1'-[2,4-Bis(2,6-difluorophenyl)cyclobutane-1,3-diyl]bis[3-(2,6-difluorophenyl)prop-2-en-1-one]
• Formula: C34 H20 F8 O2
• Calculated formula: C34 H20 F8 O2
• SMILES: O=C([C@@H]1[C@H]([C@H]([C@@H]1c1c(F)cccc1F)C(=O)/C=C/c1c(F)cccc1F)c1c(F)cccc1F)/C=C/c1c(F)cccc1F
• Title of publication: Photochemical dimerization of a fluorinated dibenzylideneacetone in chloroform solution
• Authors of publication: Schwarzer, Anke; Weber, Edwin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 202 - 206
• a: 7.6508 ± 0.0002 Å
• b: 11.1075 ± 0.0003 Å
• c: 15.6428 ± 0.0003 Å
• α: 90°
• β: 91.572 ± 0.001°
• γ: 90°
• Cell volume: 1328.84 ± 0.06 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes