Information card for entry 4026199

Structure parameters

• Common name: 2,7-bis(triisopropylsilyl)-benzo[2,1-b:3,4-b']dithiazole-4,5-dione
• Chemical name: 2,7-bis(triisopropylsilyl)-benzo[2,1-b:3,4-b']dithiazole-4,5-dione
• Formula: C26 H42 N2 O2 S2 Si2
• Calculated formula: C26 H42 N2 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: 18.711 ± 0.005 Å
• b: 8.334 ± 0.002 Å
• c: 18.767 ± 0.005 Å
• α: 90°
• β: 97.692 ± 0.004°
• γ: 90°
• Cell volume: 2900.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No