Information card for entry 7132335

Structure parameters

• Formula: C24 H19 B F2 N2
• Calculated formula: C24 H19 B F2 N2
• SMILES: F[B]1(F)[n]2cccc2=C(c2n1c(c1c2cccc1)c1ccccc1)C#CCCC
• Title of publication: Access to isoindole-derived BODIPYs by an aminopalladation cascade
• Authors of publication: von Köller, Heinrich; Geffers, Finn; Kalvani, Pedram; Foraita, Adrian; Loß, Patrick-Eric; Butschke, Burkhard; Jones, P. G.; Werz, Daniel B.
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 7.0095 ± 0.001 Å
• b: 10.7904 ± 0.0016 Å
• c: 12.52 ± 0.003 Å
• α: 97.995 ± 0.007°
• β: 93.45 ± 0.007°
• γ: 95.353 ± 0.007°
• Cell volume: 931.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0597
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No