Information card for entry 4027583

Structure parameters

• Formula: C28 H22 Cl3 N3 O2
• Calculated formula: C28 H22 Cl3 N3 O2
• SMILES: Clc1c(C(=O)C2=C3NCCN3C(=C(C2c2cc(Cl)ccc2)C(=O)Nc2ccccc2)C)cc(Cl)cc1
• Title of publication: Four-Component Cascade Heteroannulation of Heterocyclic Ketene Aminals: Synthesis of Functionalized Tetrahydroimidazo[1,2-a]pyridine Derivatives
• Authors of publication: Ming Li; Peng Shao; Shu-Wen Wang; Wei Kong; Li-Rong Wen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8956 - 8967
• a: 12.495 ± 0.004 Å
• b: 11.278 ± 0.003 Å
• c: 18.337 ± 0.005 Å
• α: 90°
• β: 99.091 ± 0.006°
• γ: 90°
• Cell volume: 2551.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1439
• Residual factor for significantly intense reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No