Information card for entry 1569325

Structure parameters

• Formula: C13 H15 Br2 N2 Sb
• Calculated formula: C13 H15 Br2 N2 Sb
• SMILES: [Sb]1(Br)(Br)n2c(C)cc(c2C=c2[n]1c(cc2C)C)C
• 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: 17.2704 ± 0.0008 Å
• b: 12.0396 ± 0.0006 Å
• c: 7.6022 ± 0.0003 Å
• α: 90°
• β: 108.934 ± 0.002°
• γ: 90°
• Cell volume: 1495.19 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0141
• Residual factor for significantly intense reflections: 0.0137
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.0332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No