Information card for entry 4037661

Structure parameters

• 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: 5.0931 ± 0.0004 Å
• b: 11.8467 ± 0.0008 Å
• c: 5.4611 ± 0.0004 Å
• α: 90°
• β: 111.883 ± 0.009°
• γ: 90°
• Cell volume: 305.76 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No