Information card for entry 4111517

Structure parameters

• Formula: C32 H18 S2
• Calculated formula: C32 H18 S2
• SMILES: c1(sc2c3c1ccc1c3c(c(c3ccc4ccccc4c3)s1)cc2)c1cc2c(cc1)cccc2
• 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: 7.264 ± 0.003 Å
• b: 8.432 ± 0.002 Å
• c: 36.215 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2218.2 ± 1.1 ų
• Cell temperature: 298.2 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: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No