Information card for entry 7161159

Structure parameters

• Formula: C20 H21 N O
• Calculated formula: C20 H21 N O
• Title of publication: Pd(II)-Catalyzed Oxidative Cyclization of Amino Alcohols with 1,3-Cyclohexadiene: A Route to Fused Morpholine Derivatives
• Authors of publication: Ye, Mao; Zhuo, Xiaoya; Tan, Xiangwen; Wu, Wanqing; Jiang, Huanfeng
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 7.1733 ± 0.0007 Å
• b: 8.1294 ± 0.0008 Å
• c: 27.051 ± 0.003 Å
• α: 90°
• β: 93.592 ± 0.004°
• γ: 90°
• Cell volume: 1574.4 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0958
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No