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Information card for entry 7231686
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| Coordinates | 7231686.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | sarcosine peroxosolvate |
|---|---|
| Chemical name | N-methylglycine peroxosolvate |
| Formula | C3 H9 N O4 |
| Calculated formula | C3 H9 N O4 |
| Title of publication | Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains |
| Authors of publication | Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 46 |
| Pages of publication | 7413 |
| a | 13.1669 ± 0.0007 Å |
| b | 6.3974 ± 0.0004 Å |
| c | 10.7817 ± 0.0006 Å |
| α | 90° |
| β | 90.605 ± 0.001° |
| γ | 90° |
| Cell volume | 908.13 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0249 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0662 |
| Weighted residual factors for all reflections included in the refinement | 0.0669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7231686.cif |
| 229026 | 2019-11-17 | cif/ Updating files of 7231686, 7231687 Original log message: Adding full bibliography for 7231686--7231687.cif. |
7231686.cif |
| 211610 | 2018-10-25 | cif/ Adding structures of 7231686, 7231687 via cif-deposit CGI script. |
7231686.cif |
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Users of the data should acknowledge the original authors of the
structural data.