Information card for entry 4034535

Structure parameters

• Formula: C28 H24 F3 N3 O3
• Calculated formula: C28 H24 F3 N3 O3
• SMILES: c12n(cc(c1nc1n2cc(cc1)c1ccc(cc1)C(F)(F)F)c1ccc(OC)cc1)C(=O)OC(C)(C)C
• Title of publication: Pyrrolo-imidazo[1,2-<i>a</i>]pyridine Scaffolds through a Sequential Coupling of <i>N</i>-Tosylhydrazones with Imidazopyridines and Reductive Cadogan Annulation, Synthetic Scope, and Application.
• Authors of publication: Zhang, Kena; El Bouakher, Abderrahman; Levaique, Helene; Bignon, Jerome; Retailleau, Pascal; Alami, Mouad; Hamze, Abdallah
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 21
• Pages of publication: 13807 - 13823
• a: 15.119 ± 0.015 Å
• b: 6.98 ± 0.005 Å
• c: 23.971 ± 0.015 Å
• α: 90°
• β: 98.71 ± 0.03°
• γ: 90°
• Cell volume: 2501 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1456
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2168
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No