Information card for entry 1544927

Structure parameters

• Formula: C H N O S
• Calculated formula: C3 H2 N0.5 O0.5 S0.5
• Title of publication: Head-to-Head Linkage Containing Dialkoxybithiophene-Based Polymeric Semiconductors for Polymer Solar Cells with Large Open-Circuit Voltages
• Authors of publication: Huang, Jun; Tang, Yumin; Gao, Ke; Liu, Feng; Guo, Han; Russell, Thomas P.; Yang, Tingbin; Liang, Yongye; Cheng, Xing; Guo, Xugang
• Journal of publication: Macromolecules
• Year of publication: 2016
• a: 4.037 ± 0.005 Å
• b: 10.599 ± 0.008 Å
• c: 14.452 ± 0.014 Å
• α: 94.28 ± 0.03°
• β: 95.46 ± 0.06°
• γ: 90.17 ± 0.04°
• Cell volume: 613.8 ± 1.1 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2471
• Residual factor for significantly intense reflections: 0.2258
• Weighted residual factors for significantly intense reflections: 0.6851
• Weighted residual factors for all reflections included in the refinement: 0.7212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.788
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No