Information card for entry 7224716

Structure parameters

• Chemical name: Piv-L-tert-Leu-L-Pro-SAnt-NH-IBu
• Formula: C26 H42 N4 O5 S
• Calculated formula: C26 H42 N4 O5 S
• Title of publication: Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs
• Authors of publication: Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.0729 ± 0.0004 Å
• b: 11.2306 ± 0.0004 Å
• c: 23.8209 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2962.26 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No