Information card for entry 2243499

Structure parameters

• 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 ų
• 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