Information card for entry 1561229

Structure parameters

• Formula: C40 H34 Br2 N2 O2 S2
• Calculated formula: C40 H34 Br2 N2 O2 S2
• Title of publication: Bis-isatin based polymers with tunable energy levels for organic field-effect transistor applications
• Authors of publication: Yang, Wei; Sun, Mingxiang; Wang, Yue; Yan, Hui; Zhang, Guobing; Zhang, Qing
• Journal of publication: Polymer Chemistry
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 2317 - 2324
• a: 7.845 ± 0.003 Å
• b: 10.433 ± 0.002 Å
• c: 15.69 ± 0.007 Å
• α: 73.92 ± 0.03°
• β: 89.21 ± 0.03°
• γ: 70.37 ± 0.02°
• Cell volume: 1157.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.3312
• Weighted residual factors for all reflections included in the refinement: 0.3571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.434
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No