Information card for entry 7237970

Structure parameters

• Formula: C72 H10 O S
• Calculated formula: C72 H10 O S
• Title of publication: Tuning the molecular packing and energy levels of fullerene acceptors for polymer solar cells
• Authors of publication: Tian, Chengbo; Chen, Miaomiao; Tian, Hanrui; Nan, Ziang; Liang, Yuming; Wei, Zhanhua
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 40
• Pages of publication: 12688
• a: 19.5012 ± 0.0004 Å
• b: 17.5328 ± 0.0003 Å
• c: 21.1857 ± 0.0005 Å
• α: 90°
• β: 98.027 ± 0.002°
• γ: 90°
• Cell volume: 7172.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No