Information card for entry 1553828

Structure parameters

• Formula: C18 H22 O6
• Calculated formula: C18 H22 O6
• SMILES: O(c1cc(OC)cc2COC[C@@]3(O[C@]4([C@@H](C3)COC4)C(=O)C)c12)C.O(c1cc(OC)cc2COC[C@]3(O[C@@]4([C@H](C3)COC4)C(=O)C)c12)C
• Title of publication: Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters
• Authors of publication: Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 2109
• a: 8.9279 ± 0.0006 Å
• b: 10.0249 ± 0.0007 Å
• c: 10.8557 ± 0.001 Å
• α: 115.731 ± 0.008°
• β: 104.925 ± 0.007°
• γ: 90.322 ± 0.006°
• Cell volume: 838 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No