Information card for entry 4111516

Structure parameters

• Formula: C24 H14 S2
• Calculated formula: C24 H14 S2
• SMILES: c1(c2c3c(ccc4c(c5ccccc5)sc(c34)cc2)s1)c1ccccc1
• Title of publication: 2,6-Diarylnaphtho[1,8-bc:5,4-b'c']dithiophenes as New High-Performance Semiconductors for Organic Field-Effect Transistors
• Authors of publication: Kazuo Takimiya; Yoshihito Kunugi; Yuta Toyoshima; Tetsuo Otsubo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 3605 - 3612
• a: 7.3528 ± 0.0001 Å
• b: 8.1884 ± 0.0001 Å
• c: 28.6857 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1727.1 ± 0.04 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.487
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No