Information card for entry 7236660

Structure parameters

• Common name: PBI
• Chemical name: Perylene bisimide
• Formula: C41 H34 Cl2 N2 O4 S
• Calculated formula: C41 H34 Cl2 N2 O4 S
• 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: 17.987 ± 0.007 Å
• b: 7.44 ± 0.002 Å
• c: 27.623 ± 0.01 Å
• α: 90°
• β: 105.357 ± 0.013°
• γ: 90°
• Cell volume: 3565 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2004
• Residual factor for significantly intense reflections: 0.167
• Weighted residual factors for significantly intense reflections: 0.4684
• Weighted residual factors for all reflections included in the refinement: 0.4976
• Goodness-of-fit parameter for all reflections included in the refinement: 2.313
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No