Information card for entry 2310002

Structure parameters

• Common name: α-Glycine
• Formula: C2 H5 N O2
• Calculated formula: C2 H5 N O2
• SMILES: C(=O)([O-])C[NH3+]
• Title of publication: Experimental dynamic electron densities of multipole models at different temperatures
• Authors of publication: Mondal, Swastik; Prathapa, Siriyara Jagannatha; van Smaalen, Sander
• Journal of publication: Acta Crystallographica Section A
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: 568 - 581
• a: 5.087 ± 0.002 Å
• b: 11.773 ± 0.003 Å
• c: 5.46 ± 0.002 Å
• α: 90°
• β: 111.99 ± 0.015°
• γ: 90°
• Cell volume: 303.21 ± 0.18 ų
• Ambient diffraction temperature: 23 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: 0.014
• Residual factor for significantly intense reflections: 0.012
• Weighted residual factors for all reflections included in the refinement: 0.015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No