Information card for entry 7151304

Structure parameters

• Common name: pivaloyl-prolyl-glycyl-N-methyl amide
• Chemical name: pivaloyl-prolyl-glycyl-N-methyl amide
• Formula: C13 H23 N3 O3
• Calculated formula: C13 H23 N3 O3
• SMILES: CC(C)(C)C(=O)N1[C@H](C(=O)NCC(=O)NC)CCC1
• 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: 5.8431 ± 0.0012 Å
• b: 7.9668 ± 0.0017 Å
• c: 9.1733 ± 0.0019 Å
• α: 114.831 ± 0.003°
• β: 97.043 ± 0.003°
• γ: 99.449 ± 0.003°
• Cell volume: 373.43 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No