Information card for entry 4519513

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: 4.0202 ± 0.0001 Å
• b: 7.6998 ± 0.0003 Å
• c: 28.8401 ± 0.0012 Å
• α: 83.82 ± 0.002°
• β: 87.96 ± 0.002°
• γ: 86.382 ± 0.002°
• Cell volume: 885.41 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes