Information card for entry 4032230

Structure parameters

• Formula: C28 H27 N O4 S
• Calculated formula: C28 H27 N O4 S
• SMILES: c1(ccc(C)cc1)S(=O)(=O)N1C[C@H]2[C@@H](C1=O)[C@H](CCC2)C(=O)c1ccc(cc1)c1ccccc1.c1(ccc(C)cc1)S(=O)(=O)N1C[C@@H]2[C@H](C1=O)[C@@H](CCC2)C(=O)c1ccc(cc1)c1ccccc1
• 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: 10.759 ± 0.0012 Å
• b: 14.439 ± 0.0015 Å
• c: 15.4335 ± 0.0015 Å
• α: 86.843 ± 0.003°
• β: 89.521 ± 0.003°
• γ: 80.881 ± 0.003°
• Cell volume: 2363.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No