Information card for entry 7151305

Structure parameters

• Common name: pivaloyl-prolyl-beta-glycyl-N-methyl amide
• Chemical name: pivaloyl-prolyl-beta-glycyl-N-methyl amide
• Formula: C14 H27 N3 O4
• Calculated formula: C14 H27 N3 O4
• SMILES: CC(C)(C)C(=O)N1[C@@H](CCC1)C(=O)NCCC(=O)NC.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: 6.297 ± 0.003 Å
• b: 11.589 ± 0.005 Å
• c: 22.503 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1642.2 ± 1.2 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: 0.0487
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No