Information card for entry 1569328

Structure parameters

• Formula: C22 H25 Bi Cl2 N2
• Calculated formula: C22 H25 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: 7.7393 ± 0.0007 Å
• b: 15.609 ± 0.002 Å
• c: 36.44 ± 0.005 Å
• α: 90°
• β: 93.984 ± 0.003°
• γ: 90°
• Cell volume: 4391.4 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No