Information card for entry 4519514

Structure parameters

• Common name: 4-Iodo-trans-cinnamic acid
• Chemical name: 3-(4-iodophenyl)prop-2-enoic acid
• Formula: C9 H7 I O2
• Calculated formula: C9 H7 I O2
• Title of publication: A Workplan for Using Heteroseeded Crystallizations to Produce New Polymorphs, as Illustrated by a Study of Cinnamic Acids
• Authors of publication: Aaron Gabriel Numez Avila; Thierry Maris; James D. Wuest
• Journal of publication: Crystal Growth & Design
• Year of publication: 2025
• Journal volume: 25
• Pages of publication: 6370 - 6381
• a: 7.7325 ± 0.0011 Å
• b: 4.0785 ± 0.0006 Å
• c: 29.139 ± 0.005 Å
• α: 90°
• β: 96.571 ± 0.011°
• γ: 90°
• Cell volume: 912.9 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.055
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes