Information card for entry 1513921

Structure parameters

• Common name: Boc-[Leu-(R)Gamma Val]5-OMe
• Chemical name: t-Butyloxycarbonyl-[leucyl-R-Gamma-valyl]5-methyl ester
• Formula: C73 H132 N10 O17
• Calculated formula: C73 H132 N10 O17
• SMILES: [C@@H](C(C)C)(NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C)C(C)C)CC(C)C)C(C)C)CC(C)C)C(C)C)CC(C)C)C(C)C)CC(C)C)CCC(=O)OC.OC.O.OC.O
• Title of publication: C12 Helices in Long Hybrid (αγ)n Peptides Composed Entirely of Unconstrained Residues with Proteinogenic Side Chains.
• Authors of publication: Sonti, Rajesh; Dinesh, Bhimareddy; Basuroy, Krishnayan; Raghothama, Srinivasarao; Shamala, Narayanaswamy; Balaram, Padmanabhan
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1656 - 1659
• a: 10.649 ± 0.008 Å
• b: 19.364 ± 0.014 Å
• c: 22.911 ± 0.016 Å
• α: 90°
• β: 100.61 ± 0.03°
• γ: 90°
• Cell volume: 4644 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.4246
• Residual factor for significantly intense reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.4086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No