Information card for entry 7212925

Structure parameters

• Formula: C34 H30 N4 S2
• Calculated formula: C34 H30 N4 S2
• SMILES: c1(sc2c3c(C(c2c1)=C(C#N)C#N)cc1c(C(c2cc(sc12)CCCCCC)=C(C#N)C#N)c3)CCCCCC
• Title of publication: A feasibly synthesized ladder-type conjugated molecule as the novel high mobility n-type organic semiconductor
• Authors of publication: Tian, Hongkun; Deng, Yunfeng; Pan, Feng; Huang, Lizhen; Yan, Donghang; Geng, Yanhou; Wang, Fosong
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 37
• Pages of publication: 7998
• a: 4.7904 ± 0.0007 Å
• b: 9.2698 ± 0.0014 Å
• c: 16.959 ± 0.003 Å
• α: 74.549 ± 0.002°
• β: 89.651 ± 0.002°
• γ: 86.261 ± 0.002°
• Cell volume: 724.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No