Information card for entry 1504391

Structure parameters

• Formula: C36 H30
• Calculated formula: C36 H30
• SMILES: c1(cc(/C=C/c2ccc(cc2)C)c(cc1/C=C/c1ccc(cc1)C)c1ccccc1)c1ccccc1
• Title of publication: Controlling Supramolecular Microstructure to Realize Highly Efficient Nondoped Deep Blue Organic Light-Emitting Devices: The Role of Diphenyl Substituents in Distyrylbenzene Derivatives
• Authors of publication: Xie, Zengqi; Xie, Weijie; Li, Feng; Liu, Linlin; Wang, Huan; Ma, Yuguang
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 24
• Pages of publication: 9066
• a: 10.608 ± 0.002 Å
• b: 32.541 ± 0.007 Å
• c: 7.6837 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2652.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1482
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No