Information card for entry 1544592

Structure parameters

• Formula: C30 H36 S4
• Calculated formula: C30 H36 S4
• SMILES: s1c(CCCCCC)ccc1c1c(scc1)/C=C/c1sccc1c1sc(CCCCCC)cc1
• Title of publication: Donor‒acceptor conjugated polymers based on two-dimensional thiophene derivatives for bulk heterojunction solar cells
• Authors of publication: Dong, Xin; Tian, Hongkun; Xie, Zhiyuan; Geng, Yanhou; Wang, Fosong
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 421
• a: 9.0286 ± 0.0014 Å
• b: 9.0591 ± 0.0015 Å
• c: 9.4956 ± 0.0015 Å
• α: 81.785 ± 0.002°
• β: 73.648 ± 0.002°
• γ: 66.336 ± 0.002°
• Cell volume: 682.18 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No