Information card for entry 4101890

Structure parameters

• Formula: C19 H26 O4
• Calculated formula: C19 H26 O4
• SMILES: c1ccccc1[C@H]1C[C@H]([C@@](CO1)(C(=O)C)O)CC(=O)C(C)(C)C.c1ccccc1[C@@H]1C[C@@H]([C@](CO1)(C(=O)C)O)CC(=O)C(C)(C)C
• Title of publication: Pt-Catalyzed Tandem 1,2-Acyloxy Migration/Intramolecular [3 + 2] Cycloaddition of Enynyl Esters
• Authors of publication: Zheng, Huaiji; Zheng, Jiyue; Yu, Binxun; Chen, Qiang; Wang, Xiaolei; He, Yongping; Yang, Zhen; She, Xuegong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Journal issue: 6
• Pages of publication: 1788 - 1789
• a: 5.867 ± 0.002 Å
• b: 10.838 ± 0.004 Å
• c: 14.128 ± 0.006 Å
• α: 79.302 ± 0.007°
• β: 87.32 ± 0.007°
• γ: 88.987 ± 0.008°
• Cell volume: 881.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No