Information card for entry 4130759

Structure parameters

• Formula: C26 H22 S
• Calculated formula: C26 H22 S
• Title of publication: Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.
• Authors of publication: Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 32
• Pages of publication: 10351 - 10355
• a: 18.49 ± 0.03 Å
• b: 6.052 ± 0.007 Å
• c: 19.25 ± 0.03 Å
• α: 90°
• β: 118.64 ± 0.03°
• γ: 90°
• Cell volume: 1891 ± 5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1901
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.2849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No