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Information card for entry 7160139
Preview
| Coordinates | 7160139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | oxo-aplisinopsyn |
|---|---|
| Chemical name | (S,E)-5-((1H-indol-3-yl)methylene)-3-(4-chlorophenyl)-1-(1-phenylethyl)imidazoli |
| Formula | C26 H20 Cl N3 O2 |
| Calculated formula | C26 H20 Cl N3 O2 |
| Title of publication | (Dimethylamino)methylene hydantoins as building blocks in the synthesis of oxoaplysinopsins and parabanic acids with antifungal activity. |
| Authors of publication | Barrera, Edson; Jerezano, Alberto V.; Reyes-González, Ulises F; Martínez-López, Daniela; Escalante, Carlos H.; López, Julio; Martínez-Mora, Eder I; Gómez-García, Omar; Andrade-Pavón, Dulce; Villa-Tanaca, Lourdes; Delgado, Francisco; Tamariz, Joaquín |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 40 |
| Pages of publication | 8144 - 8151 |
| a | 6.5034 ± 0.0004 Å |
| b | 18.5739 ± 0.0013 Å |
| c | 18.554 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2241.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1943 |
| Residual factor for significantly intense reflections | 0.0945 |
| Weighted residual factors for significantly intense reflections | 0.1187 |
| Weighted residual factors for all reflections included in the refinement | 0.1471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296698 (current) | 2024-12-06 | cif/ Updating files of 7160139 Original log message: Adding full bibliography for 7160139.cif. |
7160139.cif |
| 294725 | 2024-09-12 | cif/ Adding structures of 7160139 via cif-deposit CGI script. |
7160139.cif |
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Users of the data should acknowledge the original authors of the
structural data.