Information card for entry 4120238

Structure parameters

• Formula: C40.25 H45.5 Br N6 O9
• Calculated formula: C38.25 H38 Br1.125 N6 O7.25
• Title of publication: A Synthetic Zipper Peptide Motif Orchestrated via Co-operative Interplay of Hydrogen Bonding, Aromatic Stacking, and Backbone Chirality
• Authors of publication: Roshna V. Nair; Sanjeev Kheria; Suresh Rayavarapu; Amol S. Kotmale; Bharatam Jagadeesh; Rajesh G. Gonnade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11477 - 11480
• a: 12.654 ± 0.0018 Å
• b: 16.041 ± 0.002 Å
• c: 20.114 ± 0.003 Å
• α: 90.701 ± 0.008°
• β: 105.291 ± 0.008°
• γ: 104.722 ± 0.008°
• Cell volume: 3795.2 ± 0.9 ų
• Cell temperature: 97 ± 2 K
• Ambient diffraction temperature: 97 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1636
• Residual factor for significantly intense reflections: 0.1384
• Weighted residual factors for significantly intense reflections: 0.386
• Weighted residual factors for all reflections included in the refinement: 0.3983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.514
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No