Crystallography Open Database

Information card for entry 1574042

Preview

Coordinates	1574042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 N O P
Calculated formula	C18 H22 N O P
Title of publication	Asymmetric copper-catalyzed hydrophosphinylation of ethynylazaarenes to access <i>P</i>-chiral 2-azaaryl-ethylphosphine oxides.
Authors of publication	Zhang, Jialiang; Guo, Jiajia; Xu, Ruhui; Zheng, Di; Lian, Kai; Zhang, Zhaoxia; Cao, Shanshan; Jiang, Zhiyong
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	14
Pages of publication	5957 - 5966
a	9.9528 ± 0.0003 Å
b	10.6897 ± 0.0003 Å
c	16.8353 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1791.15 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0546
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
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
298830 (current)	2025-04-05	cif/ Updating files of 1574042 Original log message: Adding full bibliography for 1574042.cif.	1574042.cif
297942	2025-03-04	cif/ Adding structures of 1574042 via cif-deposit CGI script.	1574042.cif