Information card for entry 7719032

Structure parameters

• Formula: C20 H14 B Br2 F2 N3
• Calculated formula: C20 H14 B Br2 F2 N3
• Title of publication: Synthesis, structure, spectral and redox properties of 3-pyrrolyl BODIPYs containing one to eight bromides at the pyrrole carbons.
• Authors of publication: Chauhan, Pinky; Ravikanth, Mangalampalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 7465 - 7474
• a: 10.8062 ± 0.0003 Å
• b: 21.3167 ± 0.0005 Å
• c: 8.1321 ± 0.0002 Å
• α: 90°
• β: 98.24 ± 0.002°
• γ: 90°
• Cell volume: 1853.91 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No