Information card for entry 7218135

Structure parameters

• 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 ų
• 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