Information card for entry 1501681

Structure parameters

• Formula: C196 H128 Cl8
• Calculated formula: C196 H128 Cl8
• SMILES: ClCCl.c1(c2cc(cc(c3c4c(cc5c3cccc5)cccc4)c2)c2c3c(cc4c2cccc4)cccc3)c2c(cc3c1cccc3)cccc2
• Title of publication: Novel Deep Blue OLED Emitters with 1,3,5-Tri(anthracen-10-yl)benzene-Centered Starburst Oligofluorenes
• Authors of publication: Huang, Hong; Fu, Qiang; Zhuang, Shaoqing; Liu, Yakun; Wang, Lei; Chen, Jiangshan; Ma, Dongge; Yang, Chuluo
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2011
• Journal volume: 115
• Journal issue: 11
• Pages of publication: 4872
• a: 11.849 ± 0.003 Å
• b: 17.35 ± 0.005 Å
• c: 21.055 ± 0.004 Å
• α: 90°
• β: 121.146 ± 0.011°
• γ: 90°
• Cell volume: 3704.5 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.1263
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.2491
• Weighted residual factors for all reflections included in the refinement: 0.2583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No