Information card for entry 2103312

Structure parameters

• Common name: glycine
• Formula: C2 H5 N O2
• Calculated formula: C2 H5 N O2
• SMILES: [O-]C(=O)C[NH3+]
• Title of publication: Structural characterization of crystals of α-glycine during anomalous electrical behaviour
• Authors of publication: Langan, Paul; Mason, Sax A.; Myles, Dean; Schoenborn, Benno P.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: 728 - 733
• a: 5.1074 ± 0.0003 Å
• b: 12.0775 ± 0.0009 Å
• c: 5.4596 ± 0.0004 Å
• α: 90°
• β: 111.827 ± 0.005°
• γ: 90°
• Cell volume: 312.63 ± 0.04 ų
• Cell temperature: 427 ± 2 K
• Ambient diffraction temperature: 427 ± 2 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: 0.0331
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.333
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.8397 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No