Information card for entry 4002760

Structure parameters

• Formula: C146 H170 N8 S4 Si2
• Calculated formula: C146 H170 N8 S4 Si2
• Title of publication: Synthesis, Full Characterization, and Field Effect Transistor Behavior of a Stable Pyrene-Fused N-Heteroacene with Twelve Linearly Annulated Six-Membered Rings
• Authors of publication: Gu, Pei-Yang; Wang, Zongrui; Liu, Guangfeng; Yao, Huiying; Wang, Zilong; Li, Yang; Zhu, Jia; Li, Shuzhou; Zhang, Qichun
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• a: 16.281 ± 0.003 Å
• b: 18.231 ± 0.004 Å
• c: 20.595 ± 0.004 Å
• α: 90°
• β: 92.011 ± 0.003°
• γ: 90°
• Cell volume: 6109 ± 2 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1883
• Residual factor for significantly intense reflections: 0.1381
• Weighted residual factors for significantly intense reflections: 0.3882
• Weighted residual factors for all reflections included in the refinement: 0.433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.721
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No