Information card for entry 1560128

Structure parameters

• Formula: C34 H18 O S4
• Calculated formula: C34 H17.5 O S4
• Title of publication: Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators
• Authors of publication: Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei
• Journal of publication: Materials Horizons
• Year of publication: 2021
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 1207 - 1215
• a: 10.5404 ± 0.0004 Å
• b: 10.8365 ± 0.0004 Å
• c: 13.1815 ± 0.0007 Å
• α: 92.262 ± 0.004°
• β: 108.487 ± 0.004°
• γ: 97.789 ± 0.003°
• Cell volume: 1409.28 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No