Information card for entry 2006051

Structure parameters

• Common name: pGlu-Pro-NH~2~
• Chemical name: (author's name) cis-3-(2-pyrrolidone-5(S)-carbonyl)-L-prolinamide
• Formula: C10 H17 N3 O4
• Calculated formula: C10 H17 N3 O4
• SMILES: O=C1CC[C@H](N1)C(=O)N1CCC[C@H]1C(=O)N.O
• Title of publication: The Dipeptide pGlu‒Pro-NH~2~
• Authors of publication: Wouters, J.; Norberg, B.; Evrard, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 477 - 480
• a: 10.154 ± 0.002 Å
• b: 8.968 ± 0.002 Å
• c: 6.749 ± 0.002 Å
• α: 90°
• β: 104 ± 0.2°
• γ: 90°
• Cell volume: 596.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.0749
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No