Information card for entry 1555190

Structure parameters

• Formula: C25 H25 N O4 S
• Calculated formula: C25 H25 N O4 S
• SMILES: S(=O)(=O)(N[C@@H]1Oc2c([C@@H](CC(=O)c3ccc(cc3)C)C1)cccc2)c1ccc(cc1)C
• Title of publication: Asymmetric organocatalyzed reaction sequence of 2-hydroxy cinnamaldehydes and acyclic N-sulfonyl ketimines to construct diverse chiral bridged polycyclic aminals
• Authors of publication: Chen, Ying-Han; Lv, Xue-Jiao; You, Zhi-Hao; Liu, Yan-Kai
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 3725
• a: 26.476 ± 0.004 Å
• b: 9.6581 ± 0.0015 Å
• c: 9.1391 ± 0.0014 Å
• α: 90°
• β: 98.974 ± 0.003°
• γ: 90°
• Cell volume: 2308.3 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No