Information card for entry 4032229

Structure parameters

• Formula: C24 H25 N O4 S
• Calculated formula: C24 H25 N O4 S
• SMILES: c1(ccc(C)cc1)S(=O)(=O)N1C[C@H]2C[C@H]3C1=C([C@H]3CC2)c1ccc(cc1)C(=O)OC.c1(ccc(C)cc1)S(=O)(=O)N1C[C@@H]2C[C@@H]3C1=C([C@@H]3CC2)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: 8.0991 ± 0.0003 Å
• b: 11.0021 ± 0.0004 Å
• c: 12.0817 ± 0.0004 Å
• α: 95.876 ± 0.002°
• β: 96.881 ± 0.002°
• γ: 97.458 ± 0.002°
• Cell volume: 1052.14 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0974
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No