Information card for entry 2015750

Structure parameters

• Chemical name: glycyl-L-valine
• Formula: C7 H14 N2 O3
• Calculated formula: C7 H14 N2 O3
• SMILES: O=C(N[C@@H](C(C)C)C(=O)[O-])C[NH3+]
• Title of publication: Pearls on a string: a <i>Z</i>' = 7 structure for glycyl-<small>L</small>-valine
• Authors of publication: Görbitz, Carl Henrik; Agustsdottir, Silja; Bleken, Francesca
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o58 - o60
• a: 5.5238 ± 0.0007 Å
• b: 26.581 ± 0.003 Å
• c: 44.093 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6474.1 ± 1.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes