Information card for entry 7054687

Structure parameters

• Common name: Boc-[Aib-R-Gamma-Leu]2-OMe
• Chemical name: t-Butyloxycarbonyl-[alanyl-R-gamma-leucyl]2-methyl ester
• Formula: C28 H52 N4 O7
• Calculated formula: C28 H52 N4 O7
• SMILES: O=C(N[C@@H](CC(C)C)CCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)OC)CC(C)C)C)[C@@H](NC(=O)OC(C)(C)C)C
• Title of publication: Structural characterization of folded and extended conformations in peptides containing γ amino acids with proteinogenic side chains: crystal structures of γn, (αγ)nand γγδγ sequences
• Authors of publication: M. B. Reddy, Madhusudana; Basuroy, K.; Chandrappa, S.; Dinesh, B.; Vasantha, B.; A. Venkatesha, Manjunath; Balaram, P.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 3319
• a: 8.999 ± 0.004 Å
• b: 14.013 ± 0.006 Å
• c: 14.873 ± 0.006 Å
• α: 66.19 ± 0.02°
• β: 75.21 ± 0.03°
• γ: 73.6 ± 0.02°
• Cell volume: 1624.6 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.3763
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No