Information card for entry 4108913

Structure parameters

• Common name: peptide
• Formula: C23 H28 N4 O5
• Calculated formula: C23 H28 N4 O5
• SMILES: O(C(=O)Nc1ccccc1C(=O)NC(C)C(=O)Nc1ccccc1C(=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: 15.219 ± 0.001 Å
• b: 9.4069 ± 0.0006 Å
• c: 16.2675 ± 0.0011 Å
• α: 90°
• β: 101.44 ± 0.001°
• γ: 90°
• Cell volume: 2282.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No