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Information card for entry 7209203
Preview
| Coordinates | 7209203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | glutaric acid‒glycine (1/1) |
|---|---|
| Chemical name | glutaric acid‒glycine (1/1) |
| Formula | C7 H13 N O6 |
| Calculated formula | C7 H13 N O6 |
| SMILES | O=C(O)CCCC(=O)O.[O-]C(=O)C[NH3+] |
| Title of publication | Polymorphism of “glycine‒glutaric acid” co-crystals: the same phase at low temperatures and high pressures |
| Authors of publication | Zakharov, Boris A.; Losev, Evgeniy A.; Boldyreva, Elena V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 1693 |
| a | 4.8468 ± 0.0006 Å |
| b | 20.177 ± 0.004 Å |
| c | 10.0209 ± 0.0012 Å |
| α | 85.32 ± 0.02° |
| β | 113.602 ± 0.009° |
| γ | 88.18 ± 0.019° |
| Cell volume | 892.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Ambient diffracton pressure | 700000 kPa |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1676 |
| Residual factor for significantly intense reflections | 0.1011 |
| Weighted residual factors for significantly intense reflections | 0.2755 |
| Weighted residual factors for all reflections included in the refinement | 0.3404 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180423 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/92. |
7209203.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7209203.cif |
| 73796 | 2013-02-21 | cif/ Adding structures of 7209202, 7209203 via cif-deposit CGI script. |
7209203.cif |
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Users of the data should acknowledge the original authors of the
structural data.