Information card for entry 7104619

Structure parameters

• Chemical name: glycine hydrogen peroxide sesquisolvate
• Formula: C4 H16 N2 O10
• Calculated formula: C4 H16 N2 O10
• SMILES: [NH3+]CC(=O)[O-].[NH3+]CC(=O)[O-].OO.OO.OO
• Title of publication: Glycine and L-serine crystalline perhydrates.
• Authors of publication: Churakov, Andrei V; Prikhodchenko, Petr V; Howard, Judith A K; Lev, Ovadia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 28
• Pages of publication: 4224 - 4226
• a: 7.2854 ± 0.0004 Å
• b: 8.0045 ± 0.0005 Å
• c: 9.6698 ± 0.0006 Å
• α: 79.485 ± 0.001°
• β: 72.238 ± 0.001°
• γ: 87.275 ± 0.001°
• Cell volume: 527.99 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No