Information card for entry 7233995

Structure parameters

• Formula: C30 H19 Cl3 N4 S4
• Calculated formula: C30 H19 Cl2.998 N4 S4
• Title of publication: A bridged low band gap A-D-A quaterthiophene as efficient donor for organic solar cells
• Authors of publication: Francois Baert; Clement Cabanetos; Antoine Leliege; Eva Kirchner; Olivier Segut; Olivier Aleveque; Magali Allain; Gijun Seo; Sungyeop Jung; Denis Tondelier; Bernard Geffroy; Jean Roncali; Philippe Leriche; Philippe Blanchard
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 390 - 398
• a: 7.7895 ± 0.0008 Å
• b: 11.882 ± 0.003 Å
• c: 17.8299 ± 0.0006 Å
• α: 84.474 ± 0.009°
• β: 78.079 ± 0.004°
• γ: 80.66 ± 0.02°
• Cell volume: 1589.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1666
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No