Information card for entry 7153110

Structure parameters

• Common name: peptide
• Formula: C35 H38 Br N5 O6
• Calculated formula: C35 H38 Br N5 O6.125
• Title of publication: Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.
• Authors of publication: Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 41
• Pages of publication: 7072 - 7075
• a: 14.1383 ± 0.0003 Å
• b: 15.9256 ± 0.0003 Å
• c: 16.0775 ± 0.0004 Å
• α: 90°
• β: 112.556 ± 0.001°
• γ: 90°
• Cell volume: 3343.11 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No