Information card for entry 1552931

Structure parameters

• Formula: C58 H60 Cl3 N2 O2 S2
• Calculated formula: C58 H60 Cl3 N2 O2 S2
• 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: 21.1745 ± 0.0009 Å
• b: 35.242 ± 0.002 Å
• c: 14.1841 ± 0.0009 Å
• α: 90°
• β: 100.409 ± 0.004°
• γ: 90°
• Cell volume: 10410.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.2955
• Residual factor for significantly intense reflections: 0.1903
• Weighted residual factors for significantly intense reflections: 0.4321
• Weighted residual factors for all reflections included in the refinement: 0.4994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No