Information card for entry 7250371

Structure parameters

• Formula: C22 H18 S4
• Calculated formula: C22 H18 S4
• Title of publication: Optical and crystalline properties of benzo[1,2-b:4,5-b′]dithiophene derivatives
• Authors of publication: Guo, Caiyun; Wang, Yibin; Zhang, Chenghao; Liu, Hui; Han, Liangliang
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 15604 - 15608
• a: 9.8882 ± 0.0005 Å
• b: 9.5312 ± 0.0005 Å
• c: 10.5265 ± 0.0005 Å
• α: 90°
• β: 101.118 ± 0.002°
• γ: 90°
• Cell volume: 973.47 ± 0.08 ų
• Cell temperature: 655 ± 2 K
• Ambient diffraction temperature: 655 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: 0.0551
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No