Information card for entry 8107551

Structure parameters

• Formula: C14 H4 O2 S4
• Calculated formula: C14 H4 O2 S4
• Title of publication: Crystal structure of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-5,10-dione, C14H4O2S4
• Authors of publication: Jia, Yan; Yu, Pengling; Li, Shihui; Zhao, Yumei; Zheng, Xiaoxin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 751 - 752
• a: 3.8518 ± 0.0001 Å
• b: 8.9728 ± 0.0002 Å
• c: 18.0073 ± 0.0004 Å
• α: 90°
• β: 93.554 ± 0.001°
• γ: 90°
• Cell volume: 621.16 ± 0.03 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No