Information card for entry 4023524

Structure parameters

• Chemical name: 5,5,8,8-Tetra-n-butyl-1,2-dihydroimidazo[1,2,3-ij][1,8]naphthyridine- 4,6,7,9(5H,8H)tetraone
• Formula: C22 H32 N2 O4
• Calculated formula: C20.8 H32 N1.6 O4
• SMILES: N12C3=C(C(=O)C(C(=O)N3CC2)(CCC)CCC)C(=O)C(C1=O)(CCC)CCC.O1CCCC1
• Title of publication: Tandem Reactions of 1,3-Diacid Chlorides with 2-Methylimidazoline and 2-Methyl-1,4,5,6-tetrahydropyrimidine: One-Pot Synthesis of 1,8-Naphthyridinetetraones
• Authors of publication: Guozhong Ye; Aihua Zhou; William P. Henry; Yingquan Song; Sabornie Chatterjee; Debbie J. Beard; Pittman, Jr., Charles U.
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5170 - 5172
• a: 10.815 ± 0.009 Å
• b: 11.663 ± 0.01 Å
• c: 21.724 ± 0.018 Å
• α: 90.008 ± 0.015°
• β: 90.126 ± 0.016°
• γ: 104.101 ± 0.015°
• Cell volume: 2658 ± 4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No