Information card for entry 1548702

Structure parameters

• Formula: C29 H25 N O3 S
• Calculated formula: C29 H25 N O3 S
• SMILES: S(=O)(=O)(N1[C@H](C(=CCC1)C(=O)c1ccccc1)c1cc2ccccc2cc1)c1ccc(cc1)C
• Title of publication: Phosphine-catalyzed [5+1] annulation of δ-sulfonamido-substituted enones with <i>N</i>-sulfonylimines: a facile synthesis of tetrahydropyridines.
• Authors of publication: Zhou, Leijie; Yuan, Chunhao; Zeng, Yuan; Liu, Honglei; Wang, Chang; Gao, Xing; Wang, Qijun; Zhang, Cheng; Guo, Hongchao
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1831 - 1835
• a: 9.769 ± 0.003 Å
• b: 13.123 ± 0.003 Å
• c: 10.039 ± 0.003 Å
• α: 90°
• β: 114.345 ± 0.003°
• γ: 90°
• Cell volume: 1172.5 ± 0.6 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0433
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No