Information card for entry 7219316

Structure parameters

• Formula: C2 H5 N O2
• Calculated formula: C2 H5 N O2
• SMILES: [O-]C(=O)C[NH3+]
• Title of publication: Attrition-induced spontaneous chiral amplification of the γ polymorphic modification of glycine
• Authors of publication: Tarasevych, Arkadii V.; Sorochinsky, Alexander E.; Kukhar, Valery P.; Toupet, Loïc; Crassous, Jeanne; Guillemin, Jean-Claude
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1513
• a: 7.0051 ± 0.0003 Å
• b: 7.0051 ± 0.0003 Å
• c: 5.4758 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 232.706 ± 0.016 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.668
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No