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Information card for entry 7200563
Preview
| Coordinates | 7200563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Urea-glutaric acid |
|---|---|
| Chemical name | Urea-glutaric acid |
| Formula | C6 H12 N2 O5 |
| Calculated formula | C6 H12 N2 O5 |
| SMILES | C(=O)(N)N.C(CC(=O)O)CC(=O)O |
| Title of publication | The utility of a ternary phase diagram in the discovery of new co-crystal forms |
| Authors of publication | Chadwick, Keith; Davey, Roger; Sadiq, Ghazala; Cross, Wendy; Pritchard, Robin |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 3 |
| Pages of publication | 412 |
| a | 14.767 ± 0.003 Å |
| b | 11.735 ± 0.002 Å |
| c | 5.0741 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 879.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1432 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180336 (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 7/20/05. |
7200563.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200563.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200563.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200563.cif |
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Users of the data should acknowledge the original authors of the
structural data.