Information card for entry 4101891

Structure parameters

• Formula: C19 H24 O4
• Calculated formula: C19 H24 O4
• SMILES: c1ccccc1C(=O)C[C@@H]1CO[C@H]2CCCC[C@@H]2[C@]1(C(=O)C)O.c1ccccc1C(=O)C[C@H]1CO[C@@H]2CCCC[C@H]2[C@@]1(C(=O)C)O
• 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: 8.2627 ± 0.0004 Å
• b: 9.2103 ± 0.0004 Å
• c: 11.3983 ± 0.0004 Å
• α: 91.863 ± 0.002°
• β: 101.511 ± 0.002°
• γ: 100.929 ± 0.002°
• Cell volume: 832.34 ± 0.06 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: 0.0681
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No