Information card for entry 4515960

Structure parameters

• Formula: C19 H24 N4 O3 S
• Calculated formula: C19 H24 N4 O3 S
• Title of publication: Short Azapeptides of Folded Structures in Aqueous Solutions.
• Authors of publication: Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 4786 - 4790
• a: 19.453 ± 0.002 Å
• b: 7.6077 ± 0.0005 Å
• c: 13.2277 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1957.6 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No