Information card for entry 7126470

Structure parameters

• Formula: C19 H17 I O4
• Calculated formula: C19 H17 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: 10.5655 ± 0.0004 Å
• b: 14.926 ± 0.0005 Å
• c: 11.4963 ± 0.0004 Å
• α: 90°
• β: 107.437 ± 0.004°
• γ: 90°
• Cell volume: 1729.66 ± 0.11 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No