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Information card for entry 7218135
Preview
| Coordinates | 7218135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | N,N,N-hydroxydimethylglycine |
|---|---|
| Chemical name | 2-(hydroxydimethylammonio)acetate perhydrate |
| Formula | C4 H11 N O5 |
| Calculated formula | C4 H11 N O5 |
| Title of publication | Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more |
| Authors of publication | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 44 |
| Pages of publication | 10165 |
| a | 12.332 ± 0.0004 Å |
| b | 9.9903 ± 0.0003 Å |
| c | 5.80218 ± 0.00016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 714.83 ± 0.04 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0343 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| 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. |
7218135.cif |
| 180512 | 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 7/21/81. |
7218135.cif |
| 126355 | 2014-11-06 | cif/ Updating files of 7218133, 7218134, 7218135 Original log message: Adding full bibliography for 7218133--7218135.cif. |
7218135.cif |
| 123906 | 2014-09-17 | cif/ Adding structures of 7218133, 7218134, 7218135 via cif-deposit CGI script. |
7218135.cif |
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