Information card for entry 1576597

Structure parameters

• Formula: C19 H18 N2 O3
• Calculated formula: C19 H18 N2 O3
• 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: 9.5496 ± 0.0007 Å
• b: 10.108 ± 0.0008 Å
• c: 17.362 ± 0.0016 Å
• α: 90.483 ± 0.007°
• β: 97.956 ± 0.007°
• γ: 100.119 ± 0.006°
• Cell volume: 1633 ± 0.2 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 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: 0.1432
• Residual factor for significantly intense reflections: 0.1126
• Weighted residual factors for significantly intense reflections: 0.2851
• Weighted residual factors for all reflections included in the refinement: 0.308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No