Information card for entry 7159451

Structure parameters

• Formula: C24 H17 F2 N
• Calculated formula: C24 H17 F2 N
• SMILES: Fc1ccc(c2nc(c3ccc(F)cc3)cc(c3ccc(cc3)C)c2)cc1
• Title of publication: Copper catalysed oxidative cascade deamination/cyclization of vinyl azide and benzylamine for the synthesis of 2,4,6-triarylpyridines.
• Authors of publication: Chatterjee, Rana; Bhukta, Swadhapriya; Angajala, Kishore Kumar; Dandela, Rambabu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5419 - 5423
• a: 11.748 ± 0.013 Å
• b: 7.359 ± 0.005 Å
• c: 21.472 ± 0.014 Å
• α: 90°
• β: 94.5 ± 0.03°
• γ: 90°
• Cell volume: 1851 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1073
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No