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Information card for entry 7248283
Preview
| Coordinates | 7248283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ETHYL MALTOL |
|---|---|
| Chemical name | 2-ETHYL-3-HYDROXY-4-PYRANONE |
| Formula | C7 H8 O3 |
| Calculated formula | C7 H8 O3 |
| SMILES | OC1=C(OC=CC1=O)CC |
| Title of publication | Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments |
| Authors of publication | Thirumalaisamy, Anitha; Karuppannan, Srinivasan |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 13 |
| Pages of publication | 1902 - 1911 |
| a | 7.1414 ± 0.0008 Å |
| b | 7.6229 ± 0.0008 Å |
| c | 7.6784 ± 0.0008 Å |
| α | 62.162 ± 0.003° |
| β | 68.379 ± 0.003° |
| γ | 76.408 ± 0.003° |
| Cell volume | 342.61 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290885 (current) | 2024-04-05 | cif/ Updating files of 7248281, 7248282, 7248283 Original log message: Adding full bibliography for 7248281--7248283.cif. |
7248283.cif |
| 290362 | 2024-03-07 | cif/ Adding structures of 7248281, 7248282, 7248283 via cif-deposit CGI script. |
7248283.cif |
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Users of the data should acknowledge the original authors of the
structural data.