Crystallography Open Database

Information card for entry 7159859

Preview

Coordinates	7159859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cl O2 P
Calculated formula	C22 H20 Cl O2 P
Title of publication	Palladium-catalyzed (<i>Z</i>)-selective allylation of phosphine oxides with vinylethylene carbonates to construct phosphorus allyl alcohols.
Authors of publication	Huang, Hua; Wu, Yi-Qi; Han, Lu-Yao; Jiang, Lu; Zhang, Zhuo-Zhuo; Zhang, Xiang; Han, Bo; Huang, Wei; Li, Jun-Long
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	15
Pages of publication	3068 - 3072
a	5.74906 ± 0.00011 Å
b	19.4433 ± 0.0005 Å
c	17.5592 ± 0.0004 Å
α	90°
β	93.9972 ± 0.0018°
γ	90°
Cell volume	1958.01 ± 0.08 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
291696 (current)	2024-05-05	cif/ Updating files of 7159859 Original log message: Adding full bibliography for 7159859.cif.	7159859.cif
290624	2024-03-24	cif/ Adding structures of 7159859 via cif-deposit CGI script.	7159859.cif