Information card for entry 7055354

Structure parameters

• Formula: C24 H23 B Cl2 F2 I2 N2
• Calculated formula: C24 H23 B Cl2 F2 I2 N2
• SMILES: Ic1n2c(c3c1CCCC3)C(=c1[n](c(I)c3c1CCCC3)[B]2(F)F)c1ccccc1.C(Cl)Cl
• Title of publication: Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.
• Authors of publication: Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H
• Journal of publication: New journal of chemistry = Nouveau journal de chimie
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5740 - 5751
• a: 8.2966 ± 0.0004 Å
• b: 23.4782 ± 0.0012 Å
• c: 25.175 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4903.8 ± 0.4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No