Information card for entry 7160940

Structure parameters

• Chemical name: VK-428
• Formula: C17 H10 Br N O2
• Calculated formula: C17 H10 Br N O2
• Title of publication: Cu-catalyzed oxidative imino Diels-Alder cyclization: synthesis of dihydrofuroquinolines.
• Authors of publication: Kumar, Vikash; Dey, Ashutosh; Maurya, Rohit Kumar; Yadav, Abhay Kumar; Kumari, Megha; Singh, Angad Kumar; Khatravath, Mahender
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 8
• Pages of publication: 1659 - 1665
• a: 6.9407 ± 0.0001 Å
• b: 10.107 ± 0.0001 Å
• c: 10.6113 ± 0.0001 Å
• α: 79.691 ± 0.001°
• β: 77.53 ± 0.001°
• γ: 71.155 ± 0.001°
• Cell volume: 683.037 ± 0.014 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No