Information card for entry 7123027

Structure parameters

• Formula: C33 H16 Cl2 O8 S4
• Calculated formula: C33 H16 Cl2 O8 S4
• Title of publication: A general approach to non-fullerene electron acceptors based on the corannulene motif
• Authors of publication: Barát, Viktor; Budanović, Maja; Halilovic, Dzeneta; Huh, June; Webster, Richard D.; Mahadevegowda, Surendra H.; Stuparu, Mihaiela C.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.9036 ± 0.0004 Å
• b: 28.0514 ± 0.0015 Å
• c: 13.3901 ± 0.0007 Å
• α: 90°
• β: 103.727 ± 0.002°
• γ: 90°
• Cell volume: 2883.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1314
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No