Information card for entry 4504970

Structure parameters

• Chemical name: alpha glycine
• Formula: C2 H5 N O2
• Calculated formula: C2 H5 N O2
• SMILES: [O-]C(=O)C[NH3+]
• Title of publication: Effect of High Pressure on the Crystal Structures of Polymorphs of Glycine
• Authors of publication: Dawson, Alice; Allan, David R.; Belmonte, Scott A.; Clark, Stewart J.; David, William I. F.; McGregor, Pamela A.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1415
• a: 4.869 ± 0.0007 Å
• b: 11.139 ± 0.003 Å
• c: 5.3777 ± 0.001 Å
• α: 90°
• β: 116.888 ± 0.011°
• γ: 90°
• Cell volume: 260.13 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 62 kPa
• 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: 0.0852
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections: 0.1897
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0905
• Diffraction radiation wavelength: 0.6843 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No