Information card for entry 7124302

Structure parameters

• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• Title of publication: Pd-Catalyzed Asymmetric Allylic Substitution Cascade via An Asymmetric Desymmetrization for the Synthesis of Bicyclic Dihydrofurans
• Authors of publication: Xu, Kai; Liu, Hao; Hou, Yilin; Shen, Jiefeng; Liu, Delong; Zhang, Wanbin
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 4.6461 ± 0.0006 Å
• b: 11.4107 ± 0.0016 Å
• c: 24.622 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1305.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No