Information card for entry 7234414

Structure parameters

• Formula: C58 H56 N4 O8 S2
• Calculated formula: C58.004 H56.004 N4 O8 S2
• Title of publication: Phthalimide-based pi-conjugated small molecules with tailored electronic energy levels for use as acceptors in organic solar cells
• Authors of publication: Arthur D. Hendsbee; Seth M. McAfee; Jon-Paul Sun; Theresa M. McCormick; Ian G. Hill; Gregory C. Welch
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 8904 - 8915
• a: 22.612 ± 0.003 Å
• b: 11.4854 ± 0.0013 Å
• c: 20.156 ± 0.002 Å
• α: 90°
• β: 99.16 ± 0.002°
• γ: 90°
• Cell volume: 5167.9 ± 1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• 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: 0.0918
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No