Information card for entry 7221537

Structure parameters

• Formula: C70 H71 Cl2 N5 O
• Calculated formula: C70 H71 Cl2 N5 O
• Title of publication: Synthesis, structure, physical properties and OLED application of pyrazine–triphenylamine fused conjugated compounds
• Authors of publication: xu, liang; Zhao, Yongbiao; Long, Guankui; Wang, Yue; Zhao, Jun; Li, Dong-Sheng; Li, Junbo; Rakesh, Ganguly; Li, Yongxin; Sun, Handong; Sun, Xiaowei; Zhang, qichun
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.9549 ± 0.0005 Å
• b: 16.5068 ± 0.001 Å
• c: 18.7404 ± 0.0012 Å
• α: 92.744 ± 0.004°
• β: 102.632 ± 0.004°
• γ: 107.076 ± 0.003°
• Cell volume: 2851.7 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1729
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2637
• Weighted residual factors for all reflections included in the refinement: 0.3184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No