Information card for entry 1555189

Structure parameters

• Formula: C25 H23 N O3 S
• Calculated formula: C25 H23 N O3 S
• SMILES: S(=O)(=O)(N1[C@H]2Oc3c([C@H](C2)C(=C1c1ccccc1)C)cccc3)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: 11.1372 ± 0.0011 Å
• b: 8.2426 ± 0.0008 Å
• c: 12.2345 ± 0.0012 Å
• α: 90°
• β: 110.187 ± 0.001°
• γ: 90°
• Cell volume: 1054.13 ± 0.18 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0434
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No