Information card for entry 7126465

Structure parameters

• Formula: C17 H13 I O4
• Calculated formula: C17 H13 I O4
• Title of publication: Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.
• Authors of publication: Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 49
• Pages of publication: 6680 - 6683
• a: 9.5534 ± 0.0003 Å
• b: 9.6302 ± 0.0003 Å
• c: 10.2451 ± 0.0002 Å
• α: 74.922 ± 0.002°
• β: 85.722 ± 0.002°
• γ: 61.931 ± 0.003°
• Cell volume: 801.8 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No