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Information card for entry 2240939
Preview
| Coordinates | 2240939.cif |
|---|---|
| Structure factors | 2240939.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-Benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate |
|---|---|
| Formula | C13 H15 N O4 |
| Calculated formula | C13 H15 N O4 |
| SMILES | O([C@@H]1[C@H](O)N(C(=O)C1)Cc1ccccc1)C(=O)C |
| Title of publication | Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate |
| Authors of publication | Caracelli, Ignez; Zukerman-Schpector, Julio; Stefani, Hélio A.; Ali, Bakhat; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | o582 - o583 |
| a | 26.504 ± 0.002 Å |
| b | 6.3668 ± 0.0005 Å |
| c | 7.604 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1283.14 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0363 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240939.cif 2240939.hkl |
| 152273 | 2015-07-18 | cif/ hkl/ Adding structures of 2240939 via cif-deposit CGI script. |
2240939.cif 2240939.hkl |
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Users of the data should acknowledge the original authors of the
structural data.