Information card for entry 4515202

Structure parameters

• Formula: C94 H78 F4 N4 O2 S4
• Calculated formula: C94 H78 F4 N4 O2 S4
• SMILES: s1c2c3sc(/C=C4\C(=C(C#N)C#N)c5c(C4=O)cc(F)c(F)c5)cc3C(c2c2c1cc1c3c(sc1c2)c1sc(/C=C\2C(=C(C#N)C#N)c4c(cc(F)c(F)c4)C2=O)cc1C3(c1ccc(cc1)CCCCCC)c1ccc(cc1)CCCCCC)(c1ccc(cc1)CCCCCC)c1ccc(cc1)CCCCCC
• Title of publication: Comparison of Linear- and Star-Shaped Fused-Ring Electron Acceptors
• Authors of publication: Cai, Guilong; Wang, Wei; Zhou, Jiadong; Xiao, Yiqun; Liu, Kuan; Xie, Zengqi; Lu, Xinhui; Lian, Jiarong; Zeng, Pengju; Wang, Yiping; Zhan, Xiaowei
• Journal of publication: ACS Materials Letters
• Year of publication: 2019
• Journal volume: 1
• Journal issue: 3
• Pages of publication: 367
• a: 34.4434 ± 0.0018 Å
• b: 11.1624 ± 0.0003 Å
• c: 19.7605 ± 0.0009 Å
• α: 90°
• β: 97.631 ± 0.005°
• γ: 90°
• Cell volume: 7530.1 ± 0.6 ų
• Cell temperature: 149.97 ± 0.1 K
• Ambient diffraction temperature: 149.97 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.2025
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2601
• Weighted residual factors for all reflections included in the refinement: 0.3219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No