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Information card for entry 7224593
Preview
| Coordinates | 7224593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H16 F N O4 |
|---|---|
| Calculated formula | C19 H16 F N O4 |
| SMILES | Fc1ccc(C2N(c3ccccc3)C(=O)C(=C2C(=O)OCC)O)cc1 |
| Title of publication | Synthesis of pyrrolidinone derivatives from aniline, an aldehyde and diethyl acetylenedicarboxylate in an ethanolic citric acid solution under ultrasound irradiation |
| Authors of publication | Ahankar, Hamideh; Ramazani, Ali; Ślepokura, Katarzyna; Lis, Tadeusz; Joo, Sang Woo |
| Journal of publication | Green Chem. |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 12 |
| Pages of publication | 3582 |
| a | 8.747 ± 0.004 Å |
| b | 11.406 ± 0.005 Å |
| c | 16.58 ± 0.006 Å |
| α | 80.72 ± 0.03° |
| β | 85.21 ± 0.03° |
| γ | 85.46 ± 0.04° |
| Cell volume | 1623.2 ± 1.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1212 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1539 |
| Weighted residual factors for all reflections included in the refinement | 0.1707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224593.cif |
| 183712 | 2016-06-18 | cif/ Updating files of 7224593 Original log message: Adding full bibliography for 7224593.cif. |
7224593.cif |
| 178162 | 2016-03-12 | cif/ Adding structures of 7224593 via cif-deposit CGI script. |
7224593.cif |
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Users of the data should acknowledge the original authors of the
structural data.