Information card for entry 2105645

Structure parameters

• Chemical name: Glycyl-L-serine
• Formula: C5 H10 N2 O4
• Calculated formula: C5 H10 N2 O4
• SMILES: O=C(N[C@@H](CO)C(=O)[O-])C[NH3+]
• Title of publication: What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 1090 - 1098
• a: 7.275 ± 0.002 Å
• b: 9.097 ± 0.003 Å
• c: 10.507 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 695.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No