Crystallography Open Database

Information card for entry 1574567

Preview

Coordinates	1574567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H27 N3 O4
Calculated formula	C15 H27 N3 O4
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
a	6.4996 ± 0.0001 Å
b	10.573 ± 0.0001 Å
c	12.7837 ± 0.0002 Å
α	90°
β	93.148 ± 0.001°
γ	90°
Cell volume	877.17 ± 0.02 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	0.026
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299493 (current)	2025-05-03	cif/ Adding structures of 1574566, 1574567, 1574568, 1574569 via cif-deposit CGI script.	1574567.cif