Information card for entry 1552934

Structure parameters

• Formula: C95 H83 Cl3 N4 O2 S4
• Calculated formula: C95 H83 Cl3 N4 O2 S4
• Title of publication: Meta-analysis: the molecular organization of non-fullerene acceptors
• Authors of publication: Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham
• Journal of publication: Materials Horizons
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 1062 - 1072
• a: 8.7454 ± 0.0013 Å
• b: 18.872 ± 0.002 Å
• c: 25.2647 ± 0.0018 Å
• α: 87.77 ± 0.008°
• β: 88.724 ± 0.009°
• γ: 78.001 ± 0.012°
• Cell volume: 4075.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.3079
• Residual factor for significantly intense reflections: 0.1768
• Weighted residual factors for significantly intense reflections: 0.4418
• Weighted residual factors for all reflections included in the refinement: 0.5171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No