Information card for entry 7133738

Structure parameters

• Formula: C30 H16 S2
• Calculated formula: C30 H16 S2
• Title of publication: Thiophene-fused fulminenes (FuDTs): promising platforms for high-mobility organic semiconductors with a zigzag shape.
• Authors of publication: Kumagai, Shohei; Ishida, Takumi; Kakiuchi, Shin; Yamagishi, Masakazu; Sato, Hiroyasu; Ishii, Hiroyuki; Nishihara, Yasushi; Okamoto, Toshihiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 79
• Pages of publication: 11152 - 11155
• a: 18.7888 ± 0.0018 Å
• b: 7.9386 ± 0.0008 Å
• c: 6.7725 ± 0.0006 Å
• α: 90°
• β: 92.602 ± 0.01°
• γ: 90°
• Cell volume: 1009.12 ± 0.17 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1442
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No