Information card for entry 1572721

Structure parameters

• Formula: C18 H22 N4 O3 S
• Calculated formula: C18 H22 N4 O3 S
• Title of publication: Simultaneous formation of helical and sheet-like assemblies from short azapeptides enables spontaneous resolution
• Authors of publication: Yan, Xiaosheng; Weng, Peimin; Cao, Jinlian; Lin, Kexin; Qi, Yuanwei; Wu, Xin; Jiang, Yun-Bao
• Journal of publication: Nanoscale
• Year of publication: 2024
• a: 11.7516 ± 0.0002 Å
• b: 8.5624 ± 0.0001 Å
• c: 18.929 ± 0.0003 Å
• α: 90°
• β: 91.274 ± 0.001°
• γ: 90°
• Cell volume: 1904.2 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No