Information card for entry 1553832

Structure parameters

• Formula: C25 H29 N O7 S
• Calculated formula: C25 H29 N O7 S
• SMILES: S(=O)(=O)(N1C[C@@]2(O[C@@]3(c4c(OC)cc(OC)cc4COC3)C[C@@H]2C1)C(=O)C)c1ccc(cc1)C.S(=O)(=O)(N1C[C@]2(O[C@]3(c4c(OC)cc(OC)cc4COC3)C[C@H]2C1)C(=O)C)c1ccc(cc1)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: 9.88 ± 0.002 Å
• b: 10.9717 ± 0.0017 Å
• c: 12.836 ± 0.002 Å
• α: 85.382 ± 0.013°
• β: 71.391 ± 0.017°
• γ: 65.05 ± 0.019°
• Cell volume: 1193.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No