Information card for entry 7158343

Structure parameters

• Formula: C30 H28 N2 O3
• Calculated formula: C30 H28 N2 O3
• Title of publication: Palladium-catalyzed post-Ugi arylative dearomatization/Michael addition cascade towards plicamine analogues.
• Authors of publication: Liu, Chao; Zhao, Ruiqi; Song, Liangliang; Li, Zhenghua; Tian, Guilong; He, Yi; Van Meervelt, Luc; Peshkov, Vsevolod A.; Van der Eycken, Erik V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 44
• Pages of publication: 9752 - 9757
• a: 9.1811 ± 0.0002 Å
• b: 9.9659 ± 0.0002 Å
• c: 14.9148 ± 0.0004 Å
• α: 85.493 ± 0.002°
• β: 80.059 ± 0.002°
• γ: 63.776 ± 0.003°
• Cell volume: 1205.83 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No