Information card for entry 1570411

Structure parameters

• Formula: C28 H24 Br2 N2 O4 S2
• Calculated formula: C28 H24 Br2 N2 O4 S2
• Title of publication: Synthesis and charge-transport properties of novel π-conjugated polymers incorporating core-extended naphtho[2,1-b:3,4-b′]dithiophene diimides
• Authors of publication: Zhao, Lingli; Cao, Yanyan; Qin, Hanwen; He, Xi; Zhao, Zhiyuan; Guo, Yunlong; Chen, Huajie
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 59 - 70
• a: 15.37851 ± 0.00009 Å
• b: 22.32456 ± 0.00014 Å
• c: 7.70669 ± 0.00005 Å
• α: 90°
• β: 91.6555 ± 0.0005°
• γ: 90°
• Cell volume: 2644.74 ± 0.03 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0286
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No