Information card for entry 4111515

Structure parameters

• Formula: C36 H22 S2
• Calculated formula: C36 H22 S2
• SMILES: s1c(c2c3c1ccc1c(sc(c31)cc2)c1ccc(cc1)c1ccccc1)c1ccc(cc1)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: 12.965 ± 0.002 Å
• b: 7.62 ± 0.002 Å
• c: 12.498 ± 0.001 Å
• α: 90°
• β: 100.246 ± 0.01°
• γ: 90°
• Cell volume: 1215 ± 0.4 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No