Information card for entry 1576598

Structure parameters

• Formula: C23 H21 N O2
• Calculated formula: C23 H21 N O2
• Title of publication: Visible light-induced 1,2-alkoxy shift of α-diazoacetates for Wolff rearrangements - access to oxyketenes.
• Authors of publication: Liu, Yang; Xie, Zi-Yi; Kloene, Lennard; Xu, Cong-Lun; Tai, Jian-Peng; Zhu, Yu; Cai, Bao-Gui; Pan, Chongqing; Koenigs, Rene M.; Xuan, Jun
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 3587 - 3592
• a: 8.505 ± 0.0003 Å
• b: 9.0705 ± 0.0002 Å
• c: 13.1678 ± 0.0004 Å
• α: 84.919 ± 0.002°
• β: 71.48 ± 0.003°
• γ: 75.36 ± 0.002°
• Cell volume: 931.91 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No