Information card for entry 7160931

Structure parameters

• Formula: C10 H9 I3 O2
• Calculated formula: C10 H9 I3 O2
• Title of publication: Chemoselective synthesis of multi-functionalized alkynes and alkenes <i>via</i> transition-metal-free iodination of terminal alkynes.
• Authors of publication: Lee, Anjun; Suresh, Sundaram; Du, Bo-Xun; Han, Xinlun; Yao, Ching-Fa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 1016 - 1020
• a: 9.631 ± 0.0009 Å
• b: 5.3074 ± 0.0004 Å
• c: 13.5696 ± 0.0011 Å
• α: 90°
• β: 94.695 ± 0.003°
• γ: 90°
• Cell volume: 691.29 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No