Information card for entry 7233165

Structure parameters

• Common name: 4,4'-Dibromo-2,2'-bis(4-hexyl-5-(trimethylsilyl)thiophen-2-yl)-5,5'-bithiazole
• Chemical name: 4,4'-Dibromo-2,2'-bis(4-hexyl-5-(trimethylsilyl)thiophen-2-yl)-5,5'-bithiazole
• Formula: C32 H46 Br2 N2 S4 Si2
• Calculated formula: C32 H46 Br2 N2 S4 Si2
• Title of publication: Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport
• Authors of publication: Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 1467 - 1481
• a: 37.478 ± 0.002 Å
• b: 7.0932 ± 0.0004 Å
• c: 14.7217 ± 0.0008 Å
• α: 90°
• β: 108.247 ± 0.001°
• γ: 90°
• Cell volume: 3716.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No