Information card for entry 4108914

Structure parameters

• Common name: peptide
• Formula: C24 H29 N3 O6
• Calculated formula: C24 H29 N3 O6
• SMILES: O(C(=O)Nc1ccccc1C(=O)NC(C)(C)C(=O)Nc1ccccc1C(=O)OC)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: 10.1637 ± 0.0006 Å
• b: 15.6505 ± 0.0008 Å
• c: 15.0116 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2387.8 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No