Information card for entry 4131654

Structure parameters

• Formula: C54 H68 B2 F4 N4
• Calculated formula: C54 H68 B2 F4 N4
• Title of publication: Ethylene-Bridged Oligo-BODIPYs: Access to Intramolecular J-Aggregates and Superfluorophores.
• Authors of publication: Patalag, Lukas J.; Ho, Luong Phong; Jones, Peter G.; Werz, Daniel B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 42
• Pages of publication: 15104 - 15113
• a: 13.2054 ± 0.0005 Å
• b: 13.0747 ± 0.0004 Å
• c: 14.3114 ± 0.0005 Å
• α: 90°
• β: 107.608 ± 0.004°
• γ: 90°
• Cell volume: 2355.19 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No