Information card for entry 4130762

Structure parameters

• Formula: C211 H228 S10
• Calculated formula: C211 H228 S10
• 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: 19.9874 ± 0.0005 Å
• b: 27.2493 ± 0.0006 Å
• c: 37.9721 ± 0.0009 Å
• α: 90°
• β: 103.491 ± 0.002°
• γ: 90°
• Cell volume: 20110.6 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.2783
• Residual factor for significantly intense reflections: 0.1753
• Weighted residual factors for significantly intense reflections: 0.4409
• Weighted residual factors for all reflections included in the refinement: 0.4905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.552
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No