Information card for entry 1545576

Structure parameters

• Chemical name: ethyl (E)-2'-methoxy-5'-(phenyldiazenyl)-[1,1'-biphenyl]-4-carboxylate
• Formula: C22 H20 N2 O3
• Calculated formula: C22 H20 N2 O3
• SMILES: O(c1ccc(/N=N/c2ccccc2)cc1c1ccc(cc1)C(=O)OCC)C
• 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: 14.062 ± 0.0004 Å
• b: 7.4549 ± 0.0003 Å
• c: 18.2784 ± 0.0006 Å
• α: 90°
• β: 104.22 ± 0.004°
• γ: 90°
• Cell volume: 1857.43 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No