Information card for entry 7116475

Structure parameters

• Formula: C17 H14 Cl N O3 S
• Calculated formula: C17 H14 Cl N O3 S
• SMILES: Clc1c([C@H]2C=C3N(S(=O)(=O)c4ccccc34)[C@H](O)C2)cccc1
• Title of publication: Asymmetric tandem reactions of N-sulfonylimines and α,β-unsaturated aldehydes: an alternative reaction pathway to that of using saturated aldehydes
• Authors of publication: An, Qianjin; Li, Jing; Shen, Jiefeng; Butt, Nicholas; Liu, Delong; Liu, Yangang; Zhang, Wanbin
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 885 - 888
• a: 7.7401 ± 0.0004 Å
• b: 14.0157 ± 0.001 Å
• c: 14.8926 ± 0.001 Å
• α: 90°
• β: 91.699 ± 0.005°
• γ: 90°
• Cell volume: 1614.88 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7116313
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No