Information card for entry 1576450

Structure parameters

• Formula: C20 H27 N3 O3
• Calculated formula: C20 H27 N3 O3
• Title of publication: Photochemical cyclization of α-amino esters to access 3-azetidinones
• Authors of publication: Hwang, Meemie U.; Gogoi, Achyut; Scurria, Matthew; Gutierrez, Osvaldo; Scheidt, Karl A.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 10.6584 ± 0.0006 Å
• b: 10.8794 ± 0.0007 Å
• c: 16.6188 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1927.1 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0909
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No