Information card for entry 4020828

Structure parameters

• Formula: C11 H9 I O3
• Calculated formula: C11 H9 I O3
• SMILES: IC1=C(C(=O)OC1(O)c1ccccc1)C
• Title of publication: An Efficient Synthesis of 4-Halo-5-hydroxyfuran-2(5H)-ones via the Sequential Halolactonization and γ-Hydroxylation of 4-Aryl-2,3-alkadienoic Acids
• Authors of publication: Shengming Ma; Bin Wu; Zhangjie Shi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1429 - 1431
• a: 12.9 ± 0.005 Å
• b: 7.216 ± 0.002 Å
• c: 13.626 ± 0.003 Å
• α: 90°
• β: 116.23 ± 0.02°
• γ: 90°
• Cell volume: 1137.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No