Information card for entry 4001026

Structure parameters

• Formula: C42 H44 O2 S4
• Calculated formula: C42 H44 O2 S4
• SMILES: C1COCCO1.CCCc1sc2c(c1)c1cc(sc1c1c2c2ccc3c(c2cc1)c1sc(cc1c1c3sc(c1)CCC)CCC)CCC
• Title of publication: New Fused Heteroarenes for High-Performance Field-Effect Transistors
• Authors of publication: Wang, Jie-Yu; Zhou, Yan; Yan, Jing; Ding, Lin; Ma, Yuguo; Cao, Yong; Wang, Jian; Pei, Jian
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2595
• a: 5.6102 ± 0.0011 Å
• b: 12.937 ± 0.003 Å
• c: 13.201 ± 0.003 Å
• α: 111.53 ± 0.03°
• β: 99.42 ± 0.03°
• γ: 94.75 ± 0.03°
• Cell volume: 868.5 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No