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Information card for entry 2237900
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| Coordinates | 2237900.cif |
|---|---|
| Structure factors | 2237900.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 2-{2-[(2<i>R</i>)-2-Amino-4-methylpentanamido]acetamido}acetic acid |
|---|---|
| Chemical name | <i>L</i>-Leucylglycylglycine |
| Formula | C10 H19 N3 O4 |
| Calculated formula | C10 H19 N3 O4 |
| SMILES | [NH3+][C@H](C(=O)NCC(=O)NCC(=O)[O-])CC(C)C |
| Title of publication | <small>L</small>-Leucylglycylglycine |
| Authors of publication | Ootaki, Masanori; Nawa, Yukino; Hiroi, Tomoko; Matsui, Hiroaki; Sugawara, Yoko |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | o660 |
| a | 5.391 ± 0.005 Å |
| b | 11.742 ± 0.01 Å |
| c | 19.975 ± 0.016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1264.4 ± 1.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237900.cif 2237900.hkl |
| 181301 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/79. |
2237900.cif 2237900.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237900.cif 2237900.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237900.cif 2237900.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237900.cif 2237900.hkl |
| 86581 | 2013-07-11 | cif/ Adding structures of 2237900 via cif-deposit CGI script. |
2237900.cif |
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Users of the data should acknowledge the original authors of the
structural data.