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Information card for entry 7219624
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| Coordinates | 7219624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Hydantoin-5-propionic acid |
|---|---|
| Chemical name | 3-(2,5-dioxoimidazolidin-4-yl) propanoic acid |
| Formula | C6 H8 N2 O4 |
| Calculated formula | C6 H8 N2 O4 |
| SMILES | N1C(=O)NC(=O)[C@@H]1CCC(=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 | 6.2475 ± 0.0004 Å |
| b | 7.1111 ± 0.0006 Å |
| c | 17.3692 ± 0.0011 Å |
| α | 90° |
| β | 96.792 ± 0.005° |
| γ | 90° |
| Cell volume | 766.24 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180527 (current) | 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. |
7219624.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7219624.cif |
| 143444 | 2015-07-10 | cif/ Updating files of 7219622, 7219623, 7219624 Original log message: Adding full bibliography for 7219622--7219624.cif. |
7219624.cif |
| 132191 | 2015-02-21 | cif/ Adding structures of 7219622, 7219623, 7219624 via cif-deposit CGI script. |
7219624.cif |
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Users of the data should acknowledge the original authors of the
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