Information card for entry 7249707

Structure parameters

• Formula: C17 H21 N O4
• Calculated formula: C17 H21 N O4
• Title of publication: Metal-free stereoselective intramolecular oxyamination of alkynes using a robotic and rapid photocatalytic synthesis and screening system
• Authors of publication: Lu, Jia-Min; Mao, Yihui; Guo, Qihang; Zhong, Chengcheng; Gao, Xian-Ge; Fang, Qun; Lu, Zhan
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 560 - 565
• a: 12.2627 ± 0.0005 Å
• b: 8.4254 ± 0.0004 Å
• c: 16.0986 ± 0.0006 Å
• α: 90°
• β: 101.59 ± 0.001°
• γ: 90°
• Cell volume: 1629.36 ± 0.12 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: 0.0594
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No