Information card for entry 7161114

Structure parameters

• Formula: C17 H13 I O3
• Calculated formula: C17 H13 I O3
• Title of publication: First total synthesis and evaluation of the α-glucosidase inhibitory activity of (±)-methyl dihydromarmesinate, an anti-inflammatory phenylpropanoid from Ficushirta Vahl., and related benzofurans
• Authors of publication: Paz Armero, Paula K. K.; CALVO, NATALIA L.; Salazar, Mario Oscar; Furlan, R.; Kaufman, Teodoro S.; Bracca, Andrea B.J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 17.2784 ± 0.0006 Å
• b: 7.6648 ± 0.0003 Å
• c: 12.0994 ± 0.0004 Å
• α: 90°
• β: 105.19 ± 0.001°
• γ: 90°
• Cell volume: 1546.41 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No