Information card for entry 7227473

Structure parameters

• Formula: C2.38 H1.7 O0.17 S0.17
• Calculated formula: C2.38298 H1.70213 O0.170213 S0.170213
• Title of publication: Design and characterization of methoxy modified organic semiconductors based on phenyl[1]benzothieno[3,2-b][1]benzothiophene
• Authors of publication: Yao, Chao; Chen, Xiaolong; He, Yaowu; Guo, Yitong; Murtaza, Imran; Meng, Hong
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5514
• a: 7.5863 ± 0.0005 Å
• b: 6.0552 ± 0.0004 Å
• c: 46.173 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2121 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No