Information card for entry 7053153

Structure parameters

• Common name: 4,4'-dipyrenyl-biphenyl ?
• Formula: C44 H26
• Calculated formula: C44 H26
• SMILES: c1(ccc(cc1)c1c2c3c(cc1)ccc1c3c(cc2)ccc1)c1ccc(cc1)c1c2c3c(cc1)ccc1c3c(cc2)ccc1
• Title of publication: 4,4′-Di(pyren-1-yl)-1,1′-biphenyl as an efficient material for organic light-emitting diodes and thin-film transistors
• Authors of publication: Kwon, Jongchul; Hong, Jung-Pyo; Lee, Seonghoon; Hong, Jong-In
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 9
• Pages of publication: 2881
• a: 8.0943 ± 0.0004 Å
• b: 8.7229 ± 0.0004 Å
• c: 10.6687 ± 0.0005 Å
• α: 99.129 ± 0.003°
• β: 90.439 ± 0.003°
• γ: 114.943 ± 0.002°
• Cell volume: 672.02 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No