Information card for entry 1545097

Structure parameters

• Formula: C26 H24 N2 O6 S2
• Calculated formula: C26 H24 N2 O6 S2
• SMILES: S(=O)(=O)(N([C@H]1N2S(=O)(=O)c3ccccc3[C@@]2(C1=C)C(=O)OCC)c1ccccc1)c1ccc(cc1)C
• Title of publication: Enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines: access to polysubstituted azetidines bearing quaternary stereocenters
• Authors of publication: Liu, Ren-Rong; Hu, Jiang-Ping; Hong, Jian-Jun; Lu, Chuan-Jun; Gao, Jian-Rong; Jia, Yi-Xia
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2811
• a: 8.7715 ± 0.0004 Å
• b: 15.9157 ± 0.0008 Å
• c: 36.3389 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5073.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No