Information card for entry 2003187

Structure parameters

• Formula: C8 H15 N3 O3
• Calculated formula: C8 H15 N3 O3
• SMILES: CC(=O)N[C@H](C(=O)N[C@H](C(=O)N)C)C
• Title of publication: N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide
• Authors of publication: Puliti, Raffaella; Mattia, Carlo Andrea
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 336 - 339
• a: 5.5005 ± 0.0004 Å
• b: 9.429 ± 0.001 Å
• c: 20.712 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.2 ± 0.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 0.97
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No