Information card for entry 7132337

Structure parameters

• Formula: C19 H14 B F2 N3
• Calculated formula: C19 H14 B F2 N3
• 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: 11.2238 ± 0.0003 Å
• b: 15.6385 ± 0.0004 Å
• c: 9.2476 ± 0.0003 Å
• α: 90°
• β: 106.535 ± 0.003°
• γ: 90°
• Cell volume: 1556.05 ± 0.08 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.0572
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No