Crystallography Open Database

Information card for entry 1574566

Preview

Coordinates	1574566.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
300656 (current)	2025-07-06	cif/ Updating files of 1574566, 1574567, 1574568, 1574569 Original log message: Adding full bibliography for 1574566--1574569.cif.	1574566.cif
299493	2025-05-03	cif/ Adding structures of 1574566, 1574567, 1574568, 1574569 via cif-deposit CGI script.	1574566.cif