Information card for entry 7156904

Structure parameters

• Formula: C28 H33 N3 O3
• Calculated formula: C28 H33 N3 O3
• Title of publication: Facile construction of diverse polyheterocyclic scaffolds via gold-catalysed dearomative spirocyclization/1,6-addition cascade.
• Authors of publication: He, Yi; Wu, Danjun; Li, Zhenghua; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Erik V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 25
• Pages of publication: 6284 - 6292
• a: 9.2977 ± 0.0008 Å
• b: 9.9446 ± 0.0011 Å
• c: 13.8192 ± 0.0011 Å
• α: 83.641 ± 0.008°
• β: 73.868 ± 0.007°
• γ: 74.132 ± 0.009°
• Cell volume: 1179.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0401
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No