Information card for entry 7237969

Structure parameters

• Chemical name: BTCMA
• Formula: C71 H8 S
• Calculated formula: C71 H8 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: 19.6702 ± 0.0007 Å
• b: 10.3189 ± 0.0005 Å
• c: 17.1073 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3472.4 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No