Information card for entry 4001941

Structure parameters

• Formula: C10 H7 Br2 N O3 S
• Calculated formula: C10 H7 Br2 N O3 S
• SMILES: CCCC(=O)N1C(=O)c2c(C1=O)c(sc2Br)Br
• Title of publication: Electron-DeficientN-Alkyloyl Derivatives of Thieno[3,4-c]pyrrole-4,6-dione Yield Efficient Polymer Solar Cells with Open-Circuit Voltages > 1 V
• Authors of publication: Warnan, Julien; Cabanetos, Clément; Bude, Romain; El Labban, Abdulrahman; Li, Liang; Beaujuge, Pierre M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2829
• a: 4.8116 ± 0.0004 Å
• b: 7.3828 ± 0.0007 Å
• c: 18.4439 ± 0.0017 Å
• α: 88.811 ± 0.007°
• β: 88.827 ± 0.007°
• γ: 74.371 ± 0.008°
• Cell volume: 630.75 ± 0.1 ų
• Cell temperature: 293.1 ± 0.2 K
• Ambient diffraction temperature: 293.1 ± 0.2 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: 0.089988
• Residual factor for significantly intense reflections: 0.05587
• Weighted residual factors for all reflections included in the refinement: 0.146153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No