Information card for entry 1540423

Structure parameters

• Formula: C22 H25 Br2 N O2 S2 Si
• Calculated formula: C22 H25 Br2 N O2 S2 Si
• SMILES: Brc1sc(Br)c2[Si](c3sc(/C=C(C#N)/C(=O)OCCCCCCCC)cc3c12)(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: 9.117 ± 0.003 Å
• b: 9.259 ± 0.0018 Å
• c: 16.283 ± 0.003 Å
• α: 86.352 ± 0.001°
• β: 86.17 ± 0.001°
• γ: 69.853 ± 0.003°
• Cell volume: 1286.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No