Information card for entry 4001023

Structure parameters

• Formula: C38 H22
• Calculated formula: C38 H22
• SMILES: c1ccc2c(c1)c(C#Cc1ccc3c(c1)cccc3)c1c(c2C#Cc2ccc3c(c2)cccc3)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: 11.787 ± 0.002 Å
• b: 5.9569 ± 0.0012 Å
• c: 18.334 ± 0.004 Å
• α: 90°
• β: 97.17 ± 0.03°
• γ: 90°
• Cell volume: 1277.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1005
• 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: No
• Has Fobs: No