Information card for entry 1543121

Structure parameters

• Formula: C26 H24 Br2 F2 N2 O2
• Calculated formula: C26 H24 Br2 F2 N2 O2
• SMILES: Brc1ccc(C2=C3C(=C(c4ccc(Br)c(c4)F)N(C3=O)CCCC)C(=O)N2CCCC)cc1F
• Title of publication: Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers
• Authors of publication: Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 3311
• a: 23.213 ± 0.004 Å
• b: 18.364 ± 0.003 Å
• c: 15.662 ± 0.003 Å
• α: 90°
• β: 131.74 ± 0.002°
• γ: 90°
• Cell volume: 4981.8 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2662
• Weighted residual factors for all reflections included in the refinement: 0.3129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No