Information card for entry 1573623

Structure parameters

• Chemical name: CMB
• Formula: C100 H124 F4 N6 O2 S4
• Calculated formula: C100 H124 F4 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: 21.223 ± 0.0004 Å
• b: 21.3687 ± 0.0005 Å
• c: 32.1128 ± 0.0006 Å
• α: 91.951 ± 0.001°
• β: 91.3666 ± 0.0008°
• γ: 103.586 ± 0.001°
• Cell volume: 14140.1 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2203
• Residual factor for significantly intense reflections: 0.1717
• Weighted residual factors for significantly intense reflections: 0.4293
• Weighted residual factors for all reflections included in the refinement: 0.4806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.675
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No