Information card for entry 2240469

Structure parameters

• Common name: 2-[2-(2-{[(Benzyloxy)carbonyl]amino}acetamido)acetamido]pentanoic acid
• Chemical name: <i>N</i>-(Benzyloxycarbonyl)glycylglycyl-<i>L</i>-norvaline
• Formula: C17 H23 N3 O6
• Calculated formula: C17 H23 N3 O6
• SMILES: c1ccccc1COC(=O)NCC(=O)NCC(=O)N[C@@H](CCC)C(=O)O
• Title of publication: Crystal structure of the tripeptide <i>N</i>-(benzyloxycarbonyl)glycylglycyl-<small>L</small>-norvaline
• Authors of publication: Nicholas, Sumesh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o216 - o217
• a: 4.9857 ± 0.0006 Å
• b: 19.372 ± 0.002 Å
• c: 19.476 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1881.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1489
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes