Information card for entry 7716356

Structure parameters

• Formula: C21 H14 B F2 N3 O2
• Calculated formula: C21 H14 B F2 N3 O2
• Title of publication: Synthesis and Studies of Covalently Linked (BODIPY)2-3-Pyrrolyl BODIPY Triads
• Authors of publication: Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 7.786 ± 0.003 Å
• b: 10.093 ± 0.003 Å
• c: 11.219 ± 0.004 Å
• α: 87.523 ± 0.009°
• β: 85.753 ± 0.01°
• γ: 77.44 ± 0.008°
• Cell volume: 857.8 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0972
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No