Information card for entry 4037106

Structure parameters

• Formula: C20 H36 Br2 S4 Si4
• Calculated formula: C20 H36 Br2 S4 Si4
• SMILES: C[Si](C)(C)c1c(c(SSc2c(c(sc2[Si](C)(C)C)[Si](C)(C)C)Br)c(s1)[Si](C)(C)C)Br
• Title of publication: Planar Heptathienoacenes Based on Unsymmetric Dithieno[3,2-b:3',4'-d]thiophene: Synthesis and Photophysical Properties.
• Authors of publication: Liu, Qiuxin; Gao, Xiuxiu; Zhong, Hao; Song, Jinsheng; Wang, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 18
• Pages of publication: 8612 - 8616
• a: 19.68 ± 0.005 Å
• b: 46.734 ± 0.011 Å
• c: 6.8945 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6341 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No