Information card for entry 7237452

Structure parameters

• Formula: C56 H65 B F2 N2 S4
• Calculated formula: C56 H65 B F2 N2 S4
• Title of publication: Versatile synthesis of α-fused BODIPY displaying intense absorption in the NIR region and high electron affinity
• Authors of publication: Huaulmé, Quentin; Sutter, Alexandra; Fall, Sadiara; Jacquemin, Denis; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles; Leclerc, Nicolas
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 37
• Pages of publication: 9925
• a: 12.4977 ± 0.0009 Å
• b: 13.21 ± 0.0009 Å
• c: 17.249 ± 0.0012 Å
• α: 86.049 ± 0.005°
• β: 71.684 ± 0.005°
• γ: 65.153 ± 0.005°
• Cell volume: 2446.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No