Information card for entry 4117114

Structure parameters

• Common name: Z-[L-(alphaMe)Val]8-OtBu
• Formula: C60 H104 N8 O11
• Calculated formula: C60 H104 N8 O11
• SMILES: c1(ccccc1)COC(=O)N[C@@](C)(C(C)C)C(=O)N[C@@](C)(C(C)C)C(=O)N[C@@](C)(C(C)C)C(=O)N[C@@](C)(C(C)C)C(=O)N[C@@](C)(C(C)C)C(=O)N[C@@](C)(C(C)C)C(=O)N[C@@](C)(C(C)C)C(=O)N[C@@](C)(C(C)C)C(=O)OC(C)(C)C
• Title of publication: Circular Dichroism Spectrum of a Peptide 310-Helix
• Authors of publication: Claudio Toniolo; Alessandra Polese; Fernando Formaggio; Marco Crisma; Johan Kamphuis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 2744 - 2745
• a: 18.631 ± 0.002 Å
• b: 19.482 ± 0.002 Å
• c: 18.518 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6721.5 ± 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: 0.2693
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections: 0.1872
• Weighted residual factors for significantly intense reflections: 0.1399
• Goodness-of-fit parameter for all reflections: 0.715
• Goodness-of-fit parameter for significantly intense reflections: 1.148
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No