Information card for entry 1568970

Structure parameters

• Chemical name: (E)-allyl (2-benzhydryl-5-chloro-1-(2-oxooxazolidin-3-yl)pent-1-en-1-yl) carbonate
• Formula: C25 H26 Cl N O5
• Calculated formula: C25 H26 Cl N O5
• SMILES: ClCCC/C(=C(\OC(=O)OCC=C)N1C(=O)OCC1)C(c1ccccc1)c1ccccc1
• Title of publication: Atom-economic and stereoselective catalytic synthesis of fully substituted enol esters/carbonates of amides in acyclic systems enabled by boron Lewis acid catalysis.
• Authors of publication: Xiao, Yuanjiu; Tang, Lei; Xu, Tong-Tong; Sheng, Jiang-Yi-Hui; Zhou, Zhongyan; Yue, Lei; Wang, Guoqiang; Oestreich, Martin; Feng, Jian-Jun
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5608 - 5618
• a: 9.5099 ± 0.0002 Å
• b: 18.1304 ± 0.0003 Å
• c: 14.0225 ± 0.0002 Å
• α: 90°
• β: 105.611 ± 0.002°
• γ: 90°
• Cell volume: 2328.55 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No