Crystallography Open Database

Information card for entry 7160399

Preview

Coordinates	7160399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 N2 O4
Calculated formula	C32 H26 N2 O4
Title of publication	Iron-catalyzed 1,3-dipolar cycloaddition of alkynes and aryl nitrones for the synthesis of chiral Δ<sup>4</sup>-isoxazolines.
Authors of publication	Zhao, Zhen-Ni; Li, Shuo; Zhu, Shi-Xuan; Liu, Guo-Hua; Li, Sheng-Yu; Li, Yi-Chao; Wang, Yi-Long; Huang, Yi-Yong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	14
Pages of publication	3372 - 3379
a	8.6168 ± 0.0006 Å
b	15.768 ± 0.0012 Å
c	9.6852 ± 0.0007 Å
α	90°
β	103.245 ± 0.003°
γ	90°
Cell volume	1280.92 ± 0.16 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0467
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299053 (current)	2025-04-05	cif/ Updating files of 7160399 Original log message: Adding full bibliography for 7160399.cif.	7160399.cif
298298	2025-03-06	cif/ Adding structures of 7160399 via cif-deposit CGI script.	7160399.cif