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Information card for entry 2240294
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| Coordinates | 2240294.cif |
|---|---|
| Structure factors | 2240294.hkl |
| Original IUCr paper | HTML |
| Common name | γ-Methy-<i>L</i>-glutamate <i>N</i>-carboxy anhydride |
|---|---|
| Chemical name | (<i>S</i>)-4-[2-(Methoxycarbonyl)ethyl]-1,3-oxazolidine-2,5-dione |
| Formula | C7 H9 N O5 |
| Calculated formula | C7 H9 N O5 |
| SMILES | O=C1OC(=O)[C@@H](N1)CCC(=O)OC |
| Title of publication | Crystal structure of γ-methyl <small>L</small>-glutamate <i>N</i>-carboxy anhydride |
| Authors of publication | Kanazawa, Hitoshi; Inada, Aya; Sakon, Aya; Uekusa, Hidehiro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 48 - 50 |
| a | 6.0101 ± 0.0004 Å |
| b | 7.176 ± 0.0005 Å |
| c | 9.8528 ± 0.0006 Å |
| α | 90° |
| β | 93.19 ± 0.004° |
| γ | 90° |
| Cell volume | 424.28 ± 0.05 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240294.cif 2240294.hkl |
| 181322 | 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 2/24/02. |
2240294.cif 2240294.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. |
2240294.cif 2240294.hkl |
| 128724 | 2014-12-14 | cif/ hkl/ Adding structures of 2240294 via cif-deposit CGI script. |
2240294.cif 2240294.hkl |
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Users of the data should acknowledge the original authors of the
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