Information card for entry 1574566

Structure parameters

• Chemical name: LLDDLL peptoid hexamer
• Formula: C35 H57 N9 O10
• Calculated formula: C35 H55 N9 O10
• Title of publication: Bottom-up design of peptide shapes in water using oligomers of N-methyl-l/d-alanine
• Authors of publication: Morimoto, Jumpei; Yokomine, Marin; Shiratori, Yota; Ueda, Takumi; Nakamuro, Takayuki; Takaba, Kiyofumi; Maki-Yonekura, Saori; Umezawa, Koji; Miyanishi, Koichiro; Fukuda, Yasuhiro; Watanabe, Takumu; Suga, Mayuko; Inayoshi, Ayumi; Yoshida, Takuya; Mizukami, Wataru; Takeuchi, Koh; Yonekura, Koji; Nakamura, Eiichi; Sando, Shinsuke
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 10512 - 10522
• a: 16.67 ± 0.03 Å
• b: 6.012 ± 0.009 Å
• c: 40.37 ± 0.07 Å
• α: 90°
• β: 91.8 ± 1.1°
• γ: 90°
• Cell volume: 4044 ± 12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1223
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.3155
• Weighted residual factors for all reflections included in the refinement: 0.3311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.884
• Diffraction radiation wavelength: 0.8267 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No