Information card for entry 1553829

Structure parameters

• Formula: C19 H23 O6
• Calculated formula: C19 H24 O6
• SMILES: O1Cc2cc(OC)cc(OC)c2[C@@]2(O[C@@]3([C@H](C2)CCOC3)C(=O)C)C1.O1Cc2cc(OC)cc(OC)c2[C@]2(O[C@]3([C@@H](C2)CCOC3)C(=O)C)C1
• 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: 5.9908 ± 0.0005 Å
• b: 12.2284 ± 0.001 Å
• c: 23.731 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1738.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No