Information card for entry 7247677

Structure parameters

• Chemical name: 4,4'-(4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']bisthiophene 2,7-diyl)bis{7-[(2,4,5,7-tetranitro-9H-fluoren-9-ylidene)methyl]-2,1,3- benzothiadiazole} acetone chloroform solvate
• Formula: C189 H197 Cl3 N24 O36 S8
• Calculated formula: C189 H197 Cl3 N24 O36 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: 11.3383 ± 0.0003 Å
• b: 17.6646 ± 0.0005 Å
• c: 25.5872 ± 0.0007 Å
• α: 72.04 ± 0.001°
• β: 79.167 ± 0.001°
• γ: 82.071 ± 0.002°
• Cell volume: 4770.6 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0889
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2496
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes