Information card for entry 7201564

Structure parameters

• Common name: 6,7-dicyano-2,3-di-(4-(2,3,4,5- tetraphenylphenyl)phenyl)quinoxaline
• Formula: C82.75 H53.5 Cl1.5 N4 O2.5
• Calculated formula: C82.748 H53.496 Cl1.496 N4 O2.454
• Title of publication: Synthesis and characterization of a quinoxaline compound containing polyphenylphenyl and strong electron-accepting groups, and its multiple applications in electroluminescent devices
• Authors of publication: Xu, Xinjun; Yu, Gui; Chen, Shiyan; Di, Chong'an; Liu, Yunqi
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2008
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 299
• a: 13.22 ± 0.003 Å
• b: 13.543 ± 0.003 Å
• c: 19.421 ± 0.004 Å
• α: 99.88 ± 0.03°
• β: 102.01 ± 0.03°
• γ: 96.01 ± 0.03°
• Cell volume: 3314.8 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2187
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.296
• Weighted residual factors for all reflections included in the refinement: 0.3199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No