Information card for entry 7237964

Structure parameters

• Formula: C27 H34 Br2 N2 O3 S2
• Calculated formula: C27 H34 Br2 N2 O3 S2
• Title of publication: A distorted lactam unit with intramolecular hydrogen bonds as the electron donor of polymer solar cells
• Authors of publication: Wang, Hua-Chun; Ren, Minrun; Cao, Jian; Yin, Hong-Bo; Zhang, Guichuan; Xiao, Jingyang; Ren, Xiancheng; Yip, Hin-Lap; Xu, Yun-Xiang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 39
• Pages of publication: 12290
• a: 13.2762 ± 0.001 Å
• b: 13.6624 ± 0.0011 Å
• c: 16.458 ± 0.0013 Å
• α: 90°
• β: 107.96 ± 0.002°
• γ: 90°
• Cell volume: 2839.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0474
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No