Information card for entry 7062392

Structure parameters

• Formula: C23 H18 B F2 N3
• Calculated formula: C23 H18 B F2 N3
• SMILES: c12ccccc1c1c(ccc(c1)C1=c3ccc[n]3[B](n3cccc13)(F)F)n2CC
• Title of publication: meso-Carbazole decorated BODIPYs – an electron donor–acceptor system with excellent fluorosolvato/vapochromic behavior, aggregation-induced emission, and antileishmanial activity
• Authors of publication: Mathew, Diana; Sasidharan, Santanu; Saudagar, Prakash; Sujatha, Subramaniam; Parameswaran, Pattiyil
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 17
• Pages of publication: 8277 - 8290
• a: 13.8926 ± 0.0004 Å
• b: 18.2905 ± 0.001 Å
• c: 7.7364 ± 0.0007 Å
• α: 90°
• β: 99.426 ± 0.002°
• γ: 90°
• Cell volume: 1939.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1193
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No