Information card for entry 1573622

Structure parameters

• Formula: C98 H118 F6 N6 O2 S4
• Calculated formula: C98 H118 F6 N6 O2 S4
• Title of publication: Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.
• Authors of publication: Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 3259 - 3274
• a: 25.2111 ± 0.0008 Å
• b: 22.7564 ± 0.0008 Å
• c: 33.5239 ± 0.0011 Å
• α: 90°
• β: 108.292 ± 0.0011°
• γ: 90°
• Cell volume: 18261.3 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3081
• Residual factor for significantly intense reflections: 0.1997
• Weighted residual factors for significantly intense reflections: 0.4729
• Weighted residual factors for all reflections included in the refinement: 0.5593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No