Information card for entry 7237166

Structure parameters

• Formula: C30 H18 B F9 N2 O4
• Calculated formula: C30 H18 B F9 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: 11.7774 ± 0.0004 Å
• b: 15.2002 ± 0.0004 Å
• c: 17.0421 ± 0.0004 Å
• α: 93.918 ± 0.002°
• β: 105.682 ± 0.003°
• γ: 97.023 ± 0.003°
• Cell volume: 2898.8 ± 0.15 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 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: 0.0472
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No