Information card for entry 7063043

Structure parameters

• Chemical name: 3-PYRROLYL BODIPY-BODIPY DYAD
• Formula: C35 H25 B2 F4 N5
• Calculated formula: C35 H25 B2 F4 N5
• SMILES: F[B]1(F)[n]2c(=C(c3n1ccc3)c1ccc(cc1)C)ccc2c1[nH]c(c2ccc(C3=c4[n](ccc4)[B](F)(F)n4c3ccc4)cc2)cc1
• Title of publication: Synthesis and properties of covalently linked phenyl bridged 3-pyrrolyl BODIPY–BODIPY dyads
• Authors of publication: Sarkar, Abani; Behera, Kanhu Charan; Tumsare, Ankit; Ravikanth, Mangalampalli
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5362 - 5371
• a: 10.2752 ± 0.0009 Å
• b: 11.7931 ± 0.0014 Å
• c: 12.4578 ± 0.0013 Å
• α: 80.037 ± 0.009°
• β: 76.494 ± 0.008°
• γ: 89.59 ± 0.009°
• Cell volume: 1444.8 ± 0.3 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0601
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No