Information card for entry 4109126

Structure parameters

• Formula: C22 H12 S2
• Calculated formula: C22 H12 S2
• SMILES: s1c2c(c3sc4c(cc5c(cccc5)c4)c13)cc1ccccc1c2
• Title of publication: Facile Synthesis of Highly π-Extended Heteroarenes, Dinaphtho[2,3-b:2',3'-f]chalcogenopheno[3,2-b]chalcogenophenes, and Their Application to Field-Effect Transistors
• Authors of publication: Tatsuya Yamamoto; Kazuo Takimiya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2224 - 2225
• a: 6.187 ± 0.004 Å
• b: 7.662 ± 0.006 Å
• c: 16.21 ± 0.01 Å
• α: 90°
• β: 92.49 ± 0.02°
• γ: 90°
• Cell volume: 767.7 ± 0.9 ų
• Cell temperature: 293.1 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: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No