Information card for entry 4034533

Structure parameters

• Formula: C23 H25 N3 O4
• Calculated formula: C23 H25 N3 O4
• SMILES: c12n(c3c(c1nc1n2cccc1)c1c(OC3)cccc1)C(=O)OC(C)(C)C.OCC
• 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: 7.0678 ± 0.0007 Å
• b: 24.954 ± 0.002 Å
• c: 11.6047 ± 0.001 Å
• α: 90°
• β: 91.286 ± 0.006°
• γ: 90°
• Cell volume: 2046.2 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1603
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No