Information card for entry 4037109

Structure parameters

• Formula: C14 H19 Br S3 Si2
• Calculated formula: C14 H19 Br S3 Si2
• SMILES: Brc1sc2c3c(sc2c1)c(sc3[Si](C)(C)C)[Si](C)(C)C
• 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: 20.362 ± 0.006 Å
• b: 9.842 ± 0.003 Å
• c: 19.635 ± 0.006 Å
• α: 90°
• β: 93.532 ± 0.005°
• γ: 90°
• Cell volume: 3927 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No