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Information card for entry 2019995
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| Coordinates | 2019995.cif |
|---|---|
| Structure factors | 2019995.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>L</i>-Lisinium hydrogen maleate hemihydrate |
|---|---|
| Formula | C10 H18 N O6.5 |
| Calculated formula | C10 H18 N O6.5 |
| SMILES | OC(=O)[C@@H]([NH3+])[C@@H](C)CC.O=C(O)/C=C\C(=O)[O-].O |
| Title of publication | New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline |
| Authors of publication | Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| a | 11.5217 ± 0.0009 Å |
| b | 5.9974 ± 0.0003 Å |
| c | 19.3426 ± 0.0012 Å |
| α | 90° |
| β | 95.848 ± 0.006° |
| γ | 90° |
| Cell volume | 1329.62 ± 0.15 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.1134 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019995.cif 2019995.hkl |
| 181869 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019995.cif 2019995.hkl |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
2019995.cif 2019995.hkl |
| 139369 | 2015-06-19 | cif/ hkl/ Adding structures of 2019994, 2019995, 2019996 via cif-deposit CGI script. |
2019995.cif 2019995.hkl |
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