Information card for entry 4518951

Structure parameters

• Formula: C78 H36 F4 N6 O2 S4
• Calculated formula: C78 H36 F4 N6 O2 S4
• Title of publication: High-Performance Simple Nonfused Ring Electron Acceptors with Diphenylamino Flanking Groups.
• Authors of publication: Wang, Xiaodong; Lu, Hao; Zhou, Jiadong; Xu, Xiaoyun; Zhang, Cai'e; Huang, Hao; Song, Jinsheng; Liu, Yahui; Xu, Xinjun; Xie, Zengqi; Tang, Zheng; Bo, Zhishan
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 39652 - 39659
• a: 16.0496 ± 0.0008 Å
• b: 28.0149 ± 0.0011 Å
• c: 35.322 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15882 ± 2 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.1841
• Residual factor for significantly intense reflections: 0.1142
• Weighted residual factors for significantly intense reflections: 0.2983
• Weighted residual factors for all reflections included in the refinement: 0.3514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No