Information card for entry 1552930

Structure parameters

• Formula: C100 H98 Cl6 N4 O6 S4
• Calculated formula: C100 H98 Cl6 N4 O6 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: 8.6526 ± 0.0003 Å
• b: 16.4878 ± 0.0008 Å
• c: 18.0435 ± 0.0008 Å
• α: 114.697 ± 0.005°
• β: 103.822 ± 0.004°
• γ: 90.89 ± 0.004°
• Cell volume: 2251.5 ± 0.2 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: 0.0852
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No