Information card for entry 4517680

Structure parameters

• Formula: C46 H62 N4 S5
• Calculated formula: C46 H62 N4 S5
• Title of publication: Solution Processable Quinoidal Dithioalkylterthiophene Based Small Molecules-Pseudo Pentathienoacenes via Intramolecular S⋯S Lock for High Performance n-type Organic Field Effect Transistors.
• Authors of publication: Vegiraju, Sureshraju; Torimtubun, Alfonsina Abat Amelenan; Lin, Po-Shen; Tsai, Hsin-Chia; Lien, Wei-Chieh; Chen, Cheng-Shiun; He, Guan-Yu; Lin, Chih-Yu; Zheng, Ding; Huang, Yi-Fan; Wu, Yi-Ching; Yau, Shuehlin; Lee, Gene-Hsiang; Tung, Shih-Huang; Wang, Chien-Lung; Liu, Cheng-Liang; Chen, Ming-Chou; Facchetti, Antonio
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 8.6465 ± 0.0002 Å
• b: 9.1137 ± 0.0002 Å
• c: 29.1267 ± 0.0006 Å
• α: 95.6826 ± 0.0007°
• β: 98.3893 ± 0.0007°
• γ: 95.2272 ± 0.0007°
• Cell volume: 2246.49 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No