Information card for entry 4001025

Structure parameters

• Formula: C26 H14 S2
• Calculated formula: C26.01 H14.01 S1.861
• SMILES: c1ccc2c(c1)c(C#Cc1cccs1)c1c(c2C#Cc2cccs2)cccc1
• Title of publication: Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors
• Authors of publication: Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2840
• a: 16.508 ± 0.003 Å
• b: 10.367 ± 0.002 Å
• c: 21.587 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3694.4 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No