Information card for entry 1502772

Structure parameters

• Formula: C26 H20 N2 O S2
• Calculated formula: C26 H20 N2 O S2
• SMILES: s1c(C)ccc1c1c2nsnc2c(cc1)c1ccc(OCc2ccc(cc2)C=C)cc1
• Title of publication: Benzothiadiazole-Containing Pendant Polymers Prepared by RAFT and Their Electro-Optical Properties
• Authors of publication: Häussler, Matthias; Lok, Y. Phei; Chen, Ming; Jasieniak, Jacek; Adhikari, Raju; King, Simon P.; Haque, Saif A.; Forsyth, Craig M.; Winzenberg, Kevin; Watkins, Scott E.; Rizzardo, Ezio; Wilson, Gerard J.
• Journal of publication: Macromolecules
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 7101
• a: 17.0896 ± 0.0004 Å
• b: 7.5023 ± 0.0001 Å
• c: 16.288 ± 0.0003 Å
• α: 90°
• β: 100.417 ± 0.001°
• γ: 90°
• Cell volume: 2053.89 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1042
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No