Crystallography Open Database

Information card for entry 1574568

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Coordinates	1574568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H34 N4 O5
Calculated formula	C19 H34 N4 O5
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	6.3004 ± 0.0003 Å
b	12.6013 ± 0.0008 Å
c	31.7505 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2520.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.2181
Weighted residual factors for all reflections included in the refinement	0.2267
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1574568.cif