Information card for entry 4032224

Structure parameters

• Formula: C18 H25 N O3 S
• Calculated formula: C18 H25 N O3 S
• SMILES: c1(ccc(C)cc1)S(=O)(=O)NC[C@@H]1CC[C@H]2[C@@H](C1)C(=O)[C@H]2CC.c1(ccc(C)cc1)S(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](C1)C(=O)[C@@H]2CC
• 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: 6.153 ± 0.002 Å
• b: 28.21 ± 0.009 Å
• c: 9.988 ± 0.003 Å
• α: 90°
• β: 90.59 ± 0.007°
• γ: 90°
• Cell volume: 1733.6 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.2978
• Weighted residual factors for all reflections included in the refinement: 0.3034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No