Information card for entry 1502604

Structure parameters

• Formula: C22 H23 N O4 S
• Calculated formula: C22 H23 N O4 S
• SMILES: c1ccccc1C1=C[C@@]2([C@@](C(=O)C)(CN(C2)S(=O)(=O)c2ccc(cc2)C)O1)C.c1ccccc1C1=C[C@]2([C@](C(=O)C)(CN(C2)S(=O)(=O)c2ccc(cc2)C)O1)C
• Title of publication: Au-catalyzed piperidine synthesis via tandem acyloxy migration/intramolecular [3 + 2] cycloaddition of enynyl esters.
• Authors of publication: Zheng, Huaiji; Huo, Xing; Zhao, Changgui; Jing, Peng; Yang, Juan; Fang, Bowen; She, Xuegong
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6448 - 6451
• a: 15.819 ± 0.017 Å
• b: 11.095 ± 0.012 Å
• c: 11.877 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2085 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1407
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No