Information card for entry 4037664

Structure parameters

• Chemical name: Methyl glycinate hydrochloride
• Formula: C3 H8 Cl N O2
• Calculated formula: C3 H8 Cl N O2
• SMILES: [Cl-].O=C(OC)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: 8.3685 ± 0.0003 Å
• b: 12.5338 ± 0.0004 Å
• c: 5.655 ± 0.0002 Å
• α: 90°
• β: 99.548 ± 0.004°
• γ: 90°
• Cell volume: 584.93 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No