Information card for entry 7151306

Structure parameters

• Common name: pivaloyl-prolyl-beta-glycyl-methyl ester
• Chemical name: pivaloyl-prolyl-beta-glycyl-methyl ester
• Formula: C14 H26 N2 O5
• Calculated formula: C14 H26 N2 O5
• SMILES: CC(C)(C)C(=O)N1[C@@H](CCC1)C(=O)NCCC(=O)OC.O
• Title of publication: Structural studies of model peptides containing ?-, ?- and ?-amino acids
• Authors of publication: Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 22
• Pages of publication: 4214
• a: 6.157 ± 0.002 Å
• b: 11.547 ± 0.004 Å
• c: 23.404 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1663.9 ± 1 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: 0.0556
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No