Information card for entry 7236706

Structure parameters

• Formula: C83 H96 Cl2 N2 O4
• Calculated formula: C83 H96 Cl2 N2 O4
• Title of publication: Catalyst-free one-step synthesis of ortho-tetraaryl perylene diimides for efficient OPV non-fullerene acceptors
• Authors of publication: Li, Xiangchun; Wang, Hengbin; Schneider, Julia A.; Wei, Zitang; Lai, Wen-Yong; Huang, Wei; Wudl, Fred; Zheng, Yonghao
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 2781
• a: 12.158 ± 0.006 Å
• b: 14.546 ± 0.007 Å
• c: 20.965 ± 0.01 Å
• α: 91.262 ± 0.013°
• β: 104.023 ± 0.012°
• γ: 104.588 ± 0.01°
• Cell volume: 3468 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3513
• Residual factor for significantly intense reflections: 0.143
• Weighted residual factors for significantly intense reflections: 0.3379
• Weighted residual factors for all reflections included in the refinement: 0.4471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No