Information card for entry 1540424

Structure parameters

• Formula: C20 H26 N2 S2 Si3
• Calculated formula: C20 H26 N2 S2 Si3
• SMILES: s1c([Si](C)(C)C)c2c([Si](C)(c3sc(cc23)C=C(C#N)C#N)C)c1[Si](C)(C)C
• Title of publication: Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells
• Authors of publication: Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 319
• a: 12.979 ± 0.01 Å
• b: 12.411 ± 0.009 Å
• c: 15.532 ± 0.012 Å
• α: 90°
• β: 92.684 ± 0.015°
• γ: 90°
• Cell volume: 2499 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0912
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No