Information card for entry 4112506

Structure parameters

• Formula: C22 H14 Se2
• Calculated formula: C22 H14 Se2
• SMILES: [se]1c(cc2c1cc1cc([se]c1c2)c1ccccc1)c1ccccc1
• Title of publication: 2,6-Diphenylbenzo[1,2-b:4,5-b']dichalcogenophenes: A New Class of High-Performance Semiconductors for Organic Field-Effect Transistors
• Authors of publication: Kazuo Takimiya; Yoshihito Kunugi; Yasushi Konda; Naoto Niihara; Tetsuo Otsubo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5084 - 5085
• a: 36.836 ± 0.005 Å
• b: 7.619 ± 0.001 Å
• c: 5.886 ± 0.0008 Å
• α: 90°
• β: 92.92 ± 0.01°
• γ: 90°
• Cell volume: 1649.8 ± 0.4 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.2445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No