Information card for entry 4108915

Structure parameters

• Common name: peptide
• Formula: C20 H28 N4 O5
• Calculated formula: C20 H28 N4 O5
• SMILES: O(C(=O)Nc1ccccc1C(=O)N1CCCC1C(=O)NCC(=O)NC)C(C)(C)C
• Title of publication: Sequence-Specific Unusual (1\ρightarrow2)-Type Helical Turns in α/β-Hybrid Peptides
• Authors of publication: Panchami Prabhakaran; Sangram S. Kale; Vedavati G. Puranik; P. R. Rajamohanan; Olga Chetina; Judith A. K. Howard; Hans-Jörg Hofmann; Gangadhar J. Sanjayan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17743 - 17754
• a: 10.8666 ± 0.001 Å
• b: 16.478 ± 0.003 Å
• c: 24.053 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4306.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No