Information card for entry 2018342

Structure parameters

• Chemical name: 2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl
• Formula: C66 H46
• Calculated formula: C66 H46
• SMILES: c1ccc(cc1)c1c(cc(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)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: 11.674 ± 0.002 Å
• b: 33.336 ± 0.006 Å
• c: 11.816 ± 0.002 Å
• α: 90°
• β: 91.479 ± 0.003°
• γ: 90°
• Cell volume: 4596.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes