Information card for entry 7237164

Structure parameters

• Formula: C28 H18 B F5 N2 O4
• Calculated formula: C28 H18 B F5 N2 O4
• Title of publication: Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells
• Authors of publication: Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 38
• Pages of publication: 18583
• a: 9.4718 ± 0.0005 Å
• b: 9.4932 ± 0.0003 Å
• c: 13.4657 ± 0.0003 Å
• α: 91.53 ± 0.002°
• β: 91.845 ± 0.003°
• γ: 108.004 ± 0.004°
• Cell volume: 1150.06 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0688
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No