Information card for entry 1575160

Structure parameters

• Formula: C28 H22 Br N O
• Calculated formula: C28 H22 Br N O
• Title of publication: Photosensitized diradical rearrangement of alkenyl oxime ethers towards amino-featured oxiranes: reaction, mechanism, and structural prediction.
• Authors of publication: Liu, Tu-Ming; Zhu, Lin-Yuan; Qi, Min-Hao; Li, Si-Jia; Wang, Xiao-Jian; Xu, Jia-Rui; Han, Bing
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 14811 - 14821
• a: 5.8212 ± 0.0002 Å
• b: 14.194 ± 0.0004 Å
• c: 14.7214 ± 0.0005 Å
• α: 69.915 ± 0.003°
• β: 81.048 ± 0.002°
• γ: 86.989 ± 0.002°
• Cell volume: 1128.48 ± 0.07 ų
• Cell temperature: 149.97 ± 0.1 K
• Ambient diffraction temperature: 149.97 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No