Information card for entry 1553827

Structure parameters

• Formula: C27 H33 N O7 S
• Calculated formula: C27 H33 N O7 S
• SMILES: S(=O)(=O)(N1C[C@@]2(O[C@@]3(COCc4cc(OC)cc(OC)c34)C[C@@]2(CC1)C)C(=O)C)c1ccc(cc1)C.S(=O)(=O)(N1C[C@]2(O[C@]3(COCc4cc(OC)cc(OC)c34)C[C@]2(CC1)C)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: 22.151 ± 0.0011 Å
• b: 9.8005 ± 0.0004 Å
• c: 26.0531 ± 0.0013 Å
• α: 90°
• β: 117.401 ± 0.006°
• γ: 90°
• Cell volume: 5021.3 ± 0.5 ų
• Cell temperature: 292.59 ± 0.11 K
• Ambient diffraction temperature: 292.59 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No