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Information card for entry 4519513
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| Coordinates | 4519513.cif |
|---|---|
| Structure factors | 4519513.hkl |
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302022 (current) | 2025-09-04 | cif/ hkl/ Adding structures of 4519513 via cif-deposit CGI script. |
4519513.cif 4519513.hkl |
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