Information card for entry 4507155

Structure parameters

• Formula: C66 H70 S2
• Calculated formula: C66 H68 S2
• Title of publication: Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties
• Authors of publication: Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2013
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 663
• a: 8.6659 ± 0.0017 Å
• b: 13.122 ± 0.003 Å
• c: 13.694 ± 0.003 Å
• α: 112.96 ± 0.004°
• β: 93.861 ± 0.004°
• γ: 97.858 ± 0.004°
• Cell volume: 1407.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2133
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No