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Information card for entry 2240346
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| Coordinates | 2240346.cif |
|---|---|
| Structure factors | 2240346.hkl |
| Original paper (by DOI) | HTML |
| Common name | γ-Ethyl-<i>L</i>-glutamate <i>N</i>-carboxy anhydride |
|---|---|
| Chemical name | (<i>S</i>)-4-[2-(Ethoxycarbonyl)ethyl]-1,3-oxazolidine-2,5-dione |
| Formula | C8 H11 N O5 |
| Calculated formula | C8 H11 N O5 |
| SMILES | O=C1OC(=O)[C@@H](N1)CCC(=O)OCC |
| Title of publication | Crystal structure of γ-ethyl-<small>L</small>-glutamate <i>N</i>-carboxy anhydride |
| Authors of publication | Kanazawa, Hitoshi; Inada, Aya |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 110 - 112 |
| a | 7.9337 ± 0.0019 Å |
| b | 20.581 ± 0.005 Å |
| c | 5.8405 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 953.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240346.cif 2240346.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240346.cif 2240346.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240346.cif 2240346.hkl |
| 129073 | 2014-12-26 | cif/ hkl/ Adding structures of 2240346 via cif-deposit CGI script. |
2240346.cif 2240346.hkl |
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Users of the data should acknowledge the original authors of the
structural data.