Information card for entry 4032228

Structure parameters

• Formula: C23 H25 N O2 S
• Calculated formula: C23 H25 N O2 S
• SMILES: c1(ccc(C)cc1)S(=O)(=O)N1C[C@@H]2CC[C@H]3[C@@H](C2)C1=C3c1ccc(C)cc1.c1(ccc(C)cc1)S(=O)(=O)N1C[C@H]2CC[C@@H]3[C@H](C2)C1=C3c1ccc(C)cc1
• 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: 12.3783 ± 0.0009 Å
• b: 17.2914 ± 0.0013 Å
• c: 18.284 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3913.5 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No