Information card for entry 7245220

Structure parameters

• Formula: C20 H29 N3 O5
• Calculated formula: C20 H29 N3 O5
• Title of publication: Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides
• Authors of publication: Kumar, Satish; Borish, Kshetrimayum; Dey, Sanjit; Nagesh, Jayashree; Das, Aloke
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 11.7946 ± 0.0009 Å
• b: 9.3562 ± 0.0008 Å
• c: 18.9259 ± 0.0016 Å
• α: 90°
• β: 105.551 ± 0.002°
• γ: 90°
• Cell volume: 2012.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2075
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No