Information card for entry 7112057

Structure parameters

• Common name: Foldamer
• Formula: C30 H38 N8 O9 S2
• Calculated formula: C30 H38 N8 O9 S2
• Title of publication: Conformational modulation of peptide secondary structures using beta-aminobenzenesulfonic acid
• Authors of publication: Sangram S. Kale; Shrikant M. Kunjir; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2886
• a: 12.9152 ± 0.0003 Å
• b: 7.5313 ± 0.0002 Å
• c: 17.4463 ± 0.0004 Å
• α: 90°
• β: 94.512 ± 0.001°
• γ: 90°
• Cell volume: 1691.71 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No