Information card for entry 1545577

Structure parameters

• Chemical name: (E)-1-(4-butyl-2,6-dichlorophenyl)-2-(2,6-dichloro-3-iodophenyl)diazene
• Formula: C16 H13 Cl4 I N2
• Calculated formula: C16 H13 Cl4 I N2
• SMILES: Ic1c(Cl)c(/N=N/c2c(Cl)cc(CCCC)cc2Cl)c(Cl)cc1
• Title of publication: Selective Lithiation, Magnesiation, and Zincation of Unsymmetrical Azobenzenes Using Continuous Flow
• Authors of publication: Ketels, Marthe; Konrad, David B.; Karaghiosoff, Konstantin; Trauner, Dirk; Knochel, Paul
• Journal of publication: Organic Letters
• Year of publication: 2017
• a: 8.1132 ± 0.0002 Å
• b: 10.9951 ± 0.0003 Å
• c: 11.565 ± 0.0003 Å
• α: 63.992 ± 0.002°
• β: 87.106 ± 0.002°
• γ: 77.999 ± 0.002°
• Cell volume: 905.95 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No