Information card for entry 4110298

Structure parameters

• Chemical name: Ac-[L-(αMe)Val]7-NHiPr
• Formula: C47 H88 N8 O8
• Calculated formula: C47 H88 N8 O8
• SMILES: CC(=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)NC(C)C
• Title of publication: Peptide α/310-Helix Dimorphism in the Crystal State
• Authors of publication: Marco Crisma; Michele Saviano; Alessandro Moretto; Quirinus B. Broxterman; Bernard Kaptein; Claudio Toniolo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15471 - 15473
• a: 24.512 ± 0.006 Å
• b: 10.257 ± 0.002 Å
• c: 34.311 ± 0.009 Å
• α: 90°
• β: 110.95 ± 0.04°
• γ: 90°
• Cell volume: 8056 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.159
• Residual factor for significantly intense reflections: 0.1212
• Weighted residual factors for significantly intense reflections: 0.3041
• Weighted residual factors for all reflections included in the refinement: 0.3649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.411
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No