Information card for entry 4134037

Structure parameters

• Formula: C99 H121 F3 N6 O12
• Calculated formula: C99 H121 F3 N6 O12
• Title of publication: Per-Residue Program of Multiple Backbone Dihedral Angles of β-Peptoids via Backbone Substitutions.
• Authors of publication: Morimoto, Jumpei; Kim, Jungyeon; Kuroda, Daisuke; Nagatoishi, Satoru; Tsumoto, Kouhei; Sando, Shinsuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 16.4338 ± 0.0003 Å
• b: 15.0133 ± 0.0003 Å
• c: 37.4909 ± 0.0007 Å
• α: 90°
• β: 96.4048 ± 0.0017°
• γ: 90°
• Cell volume: 9192.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0798
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No