Information card for entry 8106471

Structure parameters

• Formula: C32 H20 O2 S2
• Calculated formula: C32 H20 O2 S2
• SMILES: s1c(c(c2c(c(sc12)C(=O)c1ccccc1)c1ccccc1)c1ccccc1)C(=O)c1ccccc1
• Title of publication: Crystal structure of 1,1′-(3,4-diphenylthieno[2,3-b]thiophene-2,5-diyl)bis[1-phenyl-methanone], C32H20O2S2
• Authors of publication: Altamimi, Rashid; Ghabbour, Hazem A.; Aldawsari, Fahad; AlRuqi, Obaid S.; Alqahtani, Nasser
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 167 - 169
• a: 10.2763 ± 0.0008 Å
• b: 19.9178 ± 0.0015 Å
• c: 11.8597 ± 0.001 Å
• α: 90°
• β: 92.828 ± 0.003°
• γ: 90°
• Cell volume: 2424.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1225
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No