Information card for entry 4034534

Structure parameters

• Formula: C24 H28 N3 O5.5
• Calculated formula: C24 H28 N3 O5.5
• SMILES: n1(cc(c2nc3ccccn3c12)c1cc(c(c(c1)OC)OC)OC)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: 14.9275 ± 0.0004 Å
• b: 13.8231 ± 0.0003 Å
• c: 23.3215 ± 0.0006 Å
• α: 90°
• β: 107.109 ± 0.003°
• γ: 90°
• Cell volume: 4599.3 ± 0.2 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: 0.0695
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No