Crystallography Open Database

Information card for entry 7135880

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Coordinates	7135880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 N2 O4
Calculated formula	C20 H20 N2 O4
Title of publication	Fluorine-Induced Helical Assembly of Dipeptides and its Remote Magnetic Alignment
Authors of publication	Zhu, Chaoyi; Ni, Jixiang; Shen, Jianxun; Mao, Haotian; Lu, Yang; Ying, Jianxi; Xi, Ning; Zhao, Yufen
Journal of publication	Chemical Communications
Year of publication	2026
a	7.8132 ± 0.0004 Å
b	5.623 ± 0.0003 Å
c	19.9273 ± 0.0009 Å
α	90°
β	97.0615 ± 0.0018°
γ	90°
Cell volume	868.84 ± 0.08 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0282
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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