Information card for entry 7234707

Structure parameters

• Chemical name: DCV-SN6_Hex
• Formula: C34 H30 N6 S4
• Calculated formula: C34 H30 N6 S4
• Title of publication: Development of strongly absorbing S,N-heterohexacene-based donor materials for efficient vacuum-processed organic solar cells
• Authors of publication: Christoph Wetzel; Amaresh Mishra; Elena Mena-Osteritz; Karsten Walzer; Martin Pfeiffer; Peter Bauerle
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 3715 - 3725
• a: 4.94184 ± 0.00003 Å
• b: 32.8876 ± 0.0002 Å
• c: 19.72071 ± 0.00013 Å
• α: 90°
• β: 96.1585 ± 0.0006°
• γ: 90°
• Cell volume: 3186.62 ± 0.03 ų
• Cell temperature: 180 ± 0.14 K
• Ambient diffraction temperature: 180 ± 0.14 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: 0.0353
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No