Information card for entry 2018343

Structure parameters

• Chemical name: 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl
• Formula: C66 H42 F4
• Calculated formula: C66 H42 F4
• SMILES: Fc1c(c(F)c(c(c1F)c1cc(c2ccccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)F)c1cc(c2ccccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl
• Authors of publication: Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o23 - o27
• a: 19.7494 ± 0.0009 Å
• b: 6.1217 ± 0.0003 Å
• c: 20.4762 ± 0.001 Å
• α: 90°
• β: 109.754 ± 0.002°
• γ: 90°
• Cell volume: 2329.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes