Information card for entry 7246627

Structure parameters

• Formula: C36 H20 S3
• Calculated formula: C36 H20 S3
• SMILES: s1c2c3sc(cc3sc2cc1c1cc2c(cc1)cc1c(c2)cccc1)c1ccc2c(c1)cc1c(c2)cccc1
• Title of publication: A new dithieno[3,2-b:2′,3′-d]thiophene derivative for high performance single crystal organic field-effect transistors and UV-sensitive phototransistors
• Authors of publication: Lou, Yunpeng; Shi, Rui; Yu, Li; Jiang, Ting; Zhang, Haoquan; Zhang, Lifeng; Hu, Yongxu; Ji, Deyang; Sun, Yajing; Li, Jie; Li, Liqiang; Hu, Wenping
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 11706 - 11711
• a: 7.483 ± 0.0003 Å
• b: 5.9649 ± 0.0002 Å
• c: 55.0355 ± 0.0014 Å
• α: 90°
• β: 101.485 ± 0.003°
• γ: 90°
• Cell volume: 2407.34 ± 0.14 ų
• Cell temperature: 160.15 K
• Ambient diffraction temperature: 160.15 K
• Number of distinct elements: 3
• 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: 0.1216
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No