Information card for entry 7235828

Structure parameters

• Formula: C75 H22 S2
• Calculated formula: C75 S2
• Title of publication: New efficient (thio)acetalized fullerene monoadducts for organic solar cells: characterization based on solubility, mobility balance, and dark current
• Authors of publication: Mikie, Tsubasa; Saeki, Akinori; Masuda, Hiroyuki; Ikuma, Naohiko; Kokubo, Ken; Seki, Shu
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 1152
• a: 9.97592 ± 0.00018 Å
• b: 19.8174 ± 0.0004 Å
• c: 20.1513 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3983.85 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No