Information card for entry 7247678

Structure parameters

• Chemical name: 5,5'-((((4,4,9,9-tetrahexadecyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b'] dithiophene-2,7-diyl)bis(benzo[c][1,2,5]thiadiazole-7,4-diyl)) bis(furan-5,2-diyl))bis(methaneylylidene)) bis(3-ethyl-2-thioxothiazolidin-4-one) acetone solvate
• Formula: C112 H156 N6 O4 S8
• Calculated formula: C112 H156 N6 O4 S8
• Title of publication: Nitrofluorene-based A-D-A electron acceptors for organic photovoltaics
• Authors of publication: Yuxuan Che; Muhammad Rizwan Niazi; Ting Yu; Thierry Maris; Cheng-Hao Liu; Dongling Ma; Ricardo Izquierdo; Igor F. Perepichka; Dmytro F. Perepichka
• Journal of publication: Journal of Material Chemistry C
• Year of publication: 2023
• Journal volume: 11
• Pages of publication: 8186 - 8195
• a: 28.704 ± 0.003 Å
• b: 27.446 ± 0.003 Å
• c: 15.1128 ± 0.0016 Å
• α: 90°
• β: 93.631 ± 0.005°
• γ: 90°
• Cell volume: 11882 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.1314
• Residual factor for significantly intense reflections: 0.125
• Weighted residual factors for significantly intense reflections: 0.4312
• Weighted residual factors for all reflections included in the refinement: 0.442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.363
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes