Information card for entry 7132338

Structure parameters

• Formula: C25 H17 B F2 N2
• Calculated formula: C25 H17 B F2 N2
• 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: 11.1893 ± 0.0002 Å
• b: 10.9459 ± 0.0002 Å
• c: 15.6815 ± 0.0003 Å
• α: 90°
• β: 92.82 ± 0.002°
• γ: 90°
• Cell volume: 1918.3 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No