Information card for entry 7054690

Structure parameters

• Common name: Boc-[Gamma-R-Leu]2-Delta-R-Leu-Gamma-R-Leu-OMe
• Chemical name: t-Butyloxycarbonyl-[R-gamma-Leucyl]2-R-delta-Leucyl-R-gamma-Leucyl-methyl ester
• Formula: C39 H74 N4 O7
• Calculated formula: C39 H74 N4 O7
• SMILES: N(C(=O)CCC[C@@H](NC(=O)CC[C@@H](NC(=O)CC[C@@H](NC(=O)OC(C)(C)C)CC(C)C)CC(C)C)CC(C)C)[C@@H](CC(C)C)CCC(=O)OC
• 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: 5.0768 ± 0.0011 Å
• b: 8.924 ± 0.002 Å
• c: 25.12 ± 0.006 Å
• α: 98.67 ± 0.013°
• β: 94.399 ± 0.014°
• γ: 99.374 ± 0.014°
• Cell volume: 1104 ± 0.4 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: 0.1583
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No