Information card for entry 1569332

Structure parameters

• Formula: C54 H36 B Cl F24 N2 Sb
• Calculated formula: C54 H36 B Cl F24 N2 Sb
• 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: 12.379 ± 0.004 Å
• b: 12.587 ± 0.004 Å
• c: 18.983 ± 0.006 Å
• α: 79.607 ± 0.007°
• β: 75.288 ± 0.007°
• γ: 80.032 ± 0.007°
• Cell volume: 2788.6 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No