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Information card for entry 2019595
Preview
| Coordinates | 2019595.cif |
|---|---|
| Structure factors | 2019595.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | L-Aspartate chloride |
|---|---|
| Chemical name | <i>L</i>-Aspartic acid hydrochloride |
| Formula | C4 H8 Cl N O4 |
| Calculated formula | C4 H8 Cl N O4 |
| SMILES | [Cl-].OC(=O)[C@@H]([NH3+])CC(=O)O |
| Title of publication | A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride |
| Authors of publication | Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | 689 - 692 |
| a | 9.7082 ± 0.0002 Å |
| b | 8.9123 ± 0.0003 Å |
| c | 8.482 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 733.88 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0464 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
2019595.cif 2019595.hkl |
| 181865 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019595.cif 2019595.hkl |
| 180863 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/95. |
2019595.cif 2019595.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019595.cif 2019595.hkl |
| 121399 | 2014-08-06 | cif/ Updating files of 2019595, 2019596 Original log message: Adding full bibliography for 2019595--2019596.cif. |
2019595.cif 2019595.hkl |
| 117670 | 2014-06-15 | cif/ hkl/ Adding structures of 2019595, 2019596 via cif-deposit CGI script. |
2019595.cif 2019595.hkl |
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Users of the data should acknowledge the original authors of the
structural data.