Information card for entry 4032085

Structure parameters

• Formula: C24 H25 N O6 S
• Calculated formula: C24 H25 N O6 S
• SMILES: c1(ccc(C)cc1)S(=O)(=O)N1C(=O)[C@@H]2C[C@H](C1)CC[C@@H]2C(=O)c1ccc(cc1)C(=O)OC.c1(ccc(C)cc1)S(=O)(=O)N1C(=O)[C@H]2C[C@@H](C1)CC[C@H]2C(=O)c1ccc(cc1)C(=O)OC
• 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: 26.8944 ± 0.001 Å
• b: 6.4389 ± 0.0002 Å
• c: 12.7221 ± 0.0005 Å
• α: 90°
• β: 100.463 ± 0.002°
• γ: 90°
• Cell volume: 2166.46 ± 0.14 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: 0.0476
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No