Information card for entry 1569326

Structure parameters

• Formula: C34 H46 Bi2 Cl4 N4 O2
• Calculated formula: C34 H46 Bi2 Cl4 N4 O2
• 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: 8.7403 ± 0.0009 Å
• b: 9.2435 ± 0.0006 Å
• c: 22.984 ± 0.003 Å
• α: 90°
• β: 95.441 ± 0.004°
• γ: 90°
• Cell volume: 1848.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0262
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No