Information card for entry 7218134

Structure parameters

• Common name: N,N-dimethylglycine
• Chemical name: 2-(Dimethylamino)acetate perhydrate
• Formula: C4 H11 N O4
• Calculated formula: C4 H11 N O4
• 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: 10.3838 ± 0.0005 Å
• b: 5.7184 ± 0.0003 Å
• c: 11.4118 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 677.62 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No