Information card for entry 4518541

Structure parameters

• Formula: C26 H16 O S
• Calculated formula: C26 H16 O S
• SMILES: s1c2c(oc3cc(c4ccccc4)ccc23)c2c1cc(c1ccccc1)cc2
• Title of publication: Multifunctional Benzo[4,5]thieno[3,2-<i>b</i>]benzofuran Derivative with High Mobility and Luminescent Properties.
• Authors of publication: Wang, Jiangfeng; He, Yaowu; Guo, Shenghui; Ali, Muhammad Umair; Zhao, Changbin; Zhu, Yanan; Wang, Tao; Wang, Yunrui; Miao, Jingsheng; Wei, Guodan; Meng, Hong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 12250 - 12258
• a: 19.1327 ± 0.0017 Å
• b: 7.2972 ± 0.0005 Å
• c: 6.373 ± 0.0005 Å
• α: 90°
• β: 91.194 ± 0.008°
• γ: 90°
• Cell volume: 889.57 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2262
• Weighted residual factors for all reflections included in the refinement: 0.2287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No