Information card for entry 1553437

Structure parameters

• Formula: C38 H27 N O3.5
• Calculated formula: C38 H27 N O3.5
• Title of publication: Palladium-catalyzed ring contraction reaction of naphthoquinones upon reaction with alkynes
• Authors of publication: Wang, Lei; Zhang, Jianwei; Lang, Ming; Wang, Jian
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 603
• a: 12.8713 ± 0.0007 Å
• b: 12.9061 ± 0.0008 Å
• c: 18.4438 ± 0.0011 Å
• α: 83.491 ± 0.001°
• β: 70.221 ± 0.001°
• γ: 87.197 ± 0.001°
• Cell volume: 2864.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No