Information card for entry 7236659

Structure parameters

• Formula: C46 H34 N2 O4 S2
• Calculated formula: C46 H34 N2 O4 S2
• Title of publication: Modulation of the power conversion efficiency of organic solar cells via architectural variation of a promising non-fullerene acceptor
• Authors of publication: Mishra, Ruchika; Regar, Ramprasad; Singh, Varun; Panini, Piyush; Singhal, Rahul; Keshtov, M. L.; Sharma, Ganesh D.; Sankar, Jeyaraman
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 574
• a: 7.2661 ± 0.0009 Å
• b: 7.419 ± 0.0009 Å
• c: 16.444 ± 0.002 Å
• α: 91.005 ± 0.003°
• β: 102.408 ± 0.004°
• γ: 98.557 ± 0.002°
• Cell volume: 854.98 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No