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Information card for entry 2243499
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| Coordinates | 2243499.cif |
|---|---|
| Structure factors | 2243499.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | pipecolic acid diperoxosolvate |
|---|---|
| Chemical name | <i>DL</i>-Piperidinium-2-carboxylate bis(hydrogen peroxide) |
| Formula | C6 H15 N O6 |
| Calculated formula | C6 H15 N O6 |
| SMILES | [NH2+]1CCCCC1C(=O)[O-].OO.OO |
| Title of publication | <small>DL</small>-Piperidinium-2-carboxylate bis(hydrogen peroxide): unusual hydrogen-bonded peroxide chains |
| Authors of publication | Navasardyan, Mger A.; Grishanov, Dmitry A.; Prikhodchenko, Petr V.; Churakov, Andrei V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 8 |
| Pages of publication | 1331 - 1335 |
| a | 6.5739 ± 0.0004 Å |
| b | 22.9278 ± 0.0015 Å |
| c | 6.0647 ± 0.0004 Å |
| α | 90° |
| β | 93.77 ± 0.001° |
| γ | 90° |
| Cell volume | 912.12 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0346 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2243499.cif 2243499.hkl |
| 254470 | 2020-07-22 | cif/ hkl/ Adding structures of 2243499 via cif-deposit CGI script. |
2243499.cif 2243499.hkl |
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Users of the data should acknowledge the original authors of the
structural data.