Information card for entry 4032227

Structure parameters

• Formula: C20 H21 N O2 S2
• Calculated formula: C20 H21 N O2 S2
• SMILES: c1(ccc(C)cc1)S(=O)(=O)N1C[C@H]2CCC[C@@H]3[C@H]2C1=Cc1c3scc1.c1(ccc(C)cc1)S(=O)(=O)N1C[C@@H]2CCC[C@H]3[C@@H]2C1=Cc1c3scc1
• Title of publication: Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.
• Authors of publication: Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 481 - 501
• a: 10.2479 ± 0.0006 Å
• b: 9.0512 ± 0.0004 Å
• c: 19.2696 ± 0.0012 Å
• α: 90°
• β: 94.084 ± 0.004°
• γ: 90°
• Cell volume: 1782.83 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No