Information card for entry 4032776

Structure parameters

• Formula: C24 H22 I2 O4
• Calculated formula: C24 H22 I2 O4
• Title of publication: Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.
• Authors of publication: Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10641 - 10649
• a: 13.6316 ± 0.0005 Å
• b: 11.6665 ± 0.0005 Å
• c: 14.3791 ± 0.0007 Å
• α: 90°
• β: 104.063 ± 0.004°
• γ: 90°
• Cell volume: 2218.22 ± 0.17 ų
• Cell temperature: 290.58 ± 0.1 K
• Ambient diffraction temperature: 290.58 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No