Information card for entry 7250373

Structure parameters

• Formula: C20 H14 O2 S4
• Calculated formula: C20 H14 O2 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: 9.5302 ± 0.0005 Å
• b: 8.6654 ± 0.0004 Å
• c: 12.0363 ± 0.0006 Å
• α: 90°
• β: 104.263 ± 0.002°
• γ: 90°
• Cell volume: 963.35 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No