Information card for entry 2019664

Structure parameters

• Common name: Gly-L-Ala
• Chemical name: Glycyl-<i>L</i>-alanine
• Formula: C5 H10 N2 O3
• Calculated formula: C5 H10 N2 O3
• SMILES: O=C([O-])[C@@H](NC(=O)C[NH3+])C
• Title of publication: Glycyl-<small>L</small>-alanine: a multi-temperature neutron study
• Authors of publication: Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 949 - 952
• a: 7.4587 ± 0.0007 Å
• b: 9.4928 ± 0.0009 Å
• c: 9.725 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 688.57 ± 0.11 ų
• Cell temperature: 50 ± 2 K
• Ambient diffraction temperature: 50 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.8313 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes