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Information card for entry 7219623
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| Coordinates | 7219623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Carglumic Acid |
|---|---|
| Chemical name | N-Carbamoyl-L-Glutamic Acid |
| Formula | C6 H10 N2 O5 |
| Calculated formula | C6 H10 N2 O5 |
| SMILES | O=C(N)N[C@@H](CCC(=O)O)C(=O)O |
| Title of publication | Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid |
| Authors of publication | Maddileti, D.; Nangia, Ashwini |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 28 |
| Pages of publication | 5252 |
| a | 5.3615 ± 0.0005 Å |
| b | 15.8123 ± 0.0015 Å |
| c | 9.9631 ± 0.0009 Å |
| α | 90° |
| β | 90.899 ± 0.002° |
| γ | 90° |
| Cell volume | 844.54 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0346 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7219623.cif |
| 180527 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/96. |
7219623.cif |
| 143444 | 2015-07-10 | cif/ Updating files of 7219622, 7219623, 7219624 Original log message: Adding full bibliography for 7219622--7219624.cif. |
7219623.cif |
| 132191 | 2015-02-21 | cif/ Adding structures of 7219622, 7219623, 7219624 via cif-deposit CGI script. |
7219623.cif |
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