Information card for entry 4032090

Structure parameters

• Formula: C22 H31 N O4 S
• Calculated formula: C22 H31 N O4 S
• SMILES: c1(ccc(C)cc1)S(=O)(=O)N1C(=O)[C@H]2C[C@@H](C1)CC[C@H]2C(=O)CCCCCC.c1(ccc(C)cc1)S(=O)(=O)N1C(=O)[C@@H]2C[C@H](C1)CC[C@@H]2C(=O)CCCCCC
• 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: 35.628 ± 0.004 Å
• b: 7.7768 ± 0.0009 Å
• c: 15.986 ± 0.003 Å
• α: 90°
• β: 105.13 ± 0.004°
• γ: 90°
• Cell volume: 4275.7 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1895
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No