Information card for entry 7219831

Structure parameters

• Formula: C20 H19 B F2 N2 O2
• Calculated formula: C20 H19 B F2 N2 O2
• SMILES: C(=O)(c1ccc(cc1)C1=c2c(C)cc(C)[n]2[B](n2c(C)cc(C)c12)(F)F)O
• Title of publication: The relationship between the boron dipyrromethene (BODIPY) structure and the effectiveness of homogeneous and heterogeneous solar hydrogen-generating systems as well as DSSCs.
• Authors of publication: Luo, Geng-Geng; Lu, Hui; Zhang, Xiao-Long; Dai, Jing-Cao; Wu, Ji-Huai; Wu, Jia-Jia
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 9716 - 9729
• a: 8.3643 ± 0.0017 Å
• b: 9.794 ± 0.002 Å
• c: 11.596 ± 0.002 Å
• α: 79.79 ± 0.03°
• β: 71.08 ± 0.03°
• γ: 87.2 ± 0.03°
• Cell volume: 884.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1126
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No