Information card for entry 1542539

Structure parameters

• Formula: C26 H27 N O7 S
• Calculated formula: C26 H27 N O7 S
• SMILES: S(=O)(=O)(N1[C@H](O[C@@H](c2ccccc2)C1(C(=O)OCC)C(=O)OCC)c1cc2c(cc1)cccc2)C
• Title of publication: Asymmetric [3 + 2] cycloaddition of donor–acceptor aziridines with aldehydes via carbon–carbon bond cleavage
• Authors of publication: Liao, Yuting; Liu, Xiaohua; Zhang, Yu; Xu, Yali; Xia, Yong; Lin, Lili; Feng, Xiaoming
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 3775
• a: 11.1671 ± 0.0002 Å
• b: 7.62443 ± 0.00014 Å
• c: 14.6056 ± 0.0003 Å
• α: 90°
• β: 94.1026 ± 0.0019°
• γ: 90°
• Cell volume: 1240.37 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No