Information card for entry 7716359

Structure parameters

• Formula: C27 H18 B F2 N3 O2
• Calculated formula: C27 H18 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: 11.489 ± 0.002 Å
• b: 19.692 ± 0.003 Å
• c: 9.7156 ± 0.0018 Å
• α: 90°
• β: 108.98 ± 0.007°
• γ: 90°
• Cell volume: 2078.6 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0594
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No