Information card for entry 7158075

Structure parameters

• Formula: C32 H26 Cl N O6 S
• Calculated formula: C32 H26 Cl N O6 S
• SMILES: Clc1ccc(cc1)C(=O)OCC[C@]1(N2S(=O)(=O)Oc3c([C@]2(OC1)/C=C/c1ccccc1)cccc3)c1ccccc1
• Title of publication: Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.
• Authors of publication: Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 22
• Pages of publication: 4877 - 4881
• a: 9.734 ± 0.0019 Å
• b: 11.144 ± 0.002 Å
• c: 25.686 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2786.3 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 6
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No