Information card for entry 1569330

Structure parameters

• Formula: C19 H19 Bi Cl2 N2
• Calculated formula: C19 H19 Bi Cl2 N2
• Title of publication: Replacing the BO in BODIPY: unlocking the path to SBDIPY and BIDIPY chromophores.
• Authors of publication: Korzun, André; Crespi, Stefano; Golz, Christopher; Bismuto, Alessandro
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6579 - 6584
• a: 22.9835 ± 0.0006 Å
• b: 22.9835 ± 0.0006 Å
• c: 14.1686 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7484.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No