Information card for entry 1566931

Structure parameters

• Formula: C30 H30 N O2
• Calculated formula: C30 H29 N O2
• Title of publication: Regioselective Synthesis of Spirocyclic Pyrrolines via a Palladium-Catalyzed Narasaka-Heck/C-H Activation/[4+2] Annulation Cascade Reaction
• Authors of publication: Wei, Wan-Xu; Kong, Xiangtao; Jiao, Rui-Qiang; Li, Xue-Song; Wang, Cui-Tian; Li, Yuke; Liang, Yong-Min
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 13.2005 ± 0.0006 Å
• b: 19.9331 ± 0.0009 Å
• c: 9.2145 ± 0.0003 Å
• α: 90°
• β: 94.679 ± 0.004°
• γ: 90°
• Cell volume: 2416.5 ± 0.17 ų
• Cell temperature: 293.16 ± 0.1 K
• Ambient diffraction temperature: 293.16 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No