Information card for entry 7159820

Structure parameters

• Formula: C19 H18 I N O4 S
• Calculated formula: C19 H18 I N O4 S
• Title of publication: I₂/CF₃CO₂Ag-mediated iodolactonization of various allenoic acids to access versatile 6- to 9-membered ring vinylic iodolactones.
• Authors of publication: Bao, Xiaobo; Wang, Guoli; Dong, Xu; Zhu, Mengxiao; Yang, Lili; Zhu, Junjie; Shi, Qingyuan; Zhang, Hongzhen; Chen, Dongyin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 12
• Pages of publication: 2443 - 2450
• a: 9.5458 ± 0.0003 Å
• b: 10.8218 ± 0.0003 Å
• c: 18.6882 ± 0.0005 Å
• α: 102.663 ± 0.001°
• β: 92.618 ± 0.001°
• γ: 90.594 ± 0.001°
• Cell volume: 1881.21 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No