Information card for entry 4026198

Structure parameters

• Common name: 2,7-Bis-trimethylsilyl-benzo[2,1-b:3,4-b']dithiophene-4,5-dione
• Chemical name: 2,7-Bis-trimethylsilyl-benzo[2,1-b:3,4-b']dithiophene-4,5-dione
• Formula: C16 H20 O2 S2 Si2
• Calculated formula: C16 H20 O2 S2 Si2
• Title of publication: Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties
• Authors of publication: Yulia A. Getmanenko; Chad Risko; Paul Tongwa; Eung-Gun Kim; Hong Li; Bhupinder Sandhu; Tatiana Timofeeva; Jean-Luc Brédas; Seth R. Marder
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 2660 - 2671
• a: 15.36 ± 0.002 Å
• b: 12.783 ± 0.0016 Å
• c: 19.119 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3754 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No