Information card for entry 4037663

Structure parameters

• Chemical name: Glycine beta
• Formula: C2 H5 N O2
• Calculated formula: C2 H5 N O2
• SMILES: O=C([O-])C[NH3+]
• Title of publication: Chiral Selectivity in the Achiral Amino Acid Glycine.
• Authors of publication: Brunner, Henri; Tsuno, Takashi; Balázs, Gábor
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 7.0145 ± 0.0004 Å
• b: 7.0145 ± 0.0004 Å
• c: 5.4826 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 233.62 ± 0.02 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2447
• Weighted residual factors for all reflections included in the refinement: 0.2475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No