Information card for entry 7160929

Structure parameters

• Formula: C9 H6 Cl I O
• Calculated formula: C9 H6 Cl I O
• 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: 4.1996 ± 0.0007 Å
• b: 10.2622 ± 0.0018 Å
• c: 22.095 ± 0.004 Å
• α: 90°
• β: 90.362 ± 0.006°
• γ: 90°
• Cell volume: 952.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No