Crystallography Open Database

Information card for entry 1574181

Preview

Coordinates	1574181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.25 H23.5 Br Cl0.5 N O2 P
Calculated formula	C26.25 H23.5 Br Cl0.5 N O2 P
Title of publication	Enantioselective Zn-catalyzed hydrophosphinylation of nitrones: an efficient approach for constructing chiral α-hydroxyamino-phosphine oxides
Authors of publication	Luo, Shihui; Yuan, Xinzhu; Cheng, Jiangtao; Yang, Zhiping; Huang, Zhongxing; Wang, Jun (Joelle)
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	16
Pages of publication	7051 - 7056
a	10.6028 ± 0.001 Å
b	14.0739 ± 0.0012 Å
c	18.2273 ± 0.0016 Å
α	79.307 ± 0.004°
β	73.787 ± 0.004°
γ	73.152 ± 0.004°
Cell volume	2483.4 ± 0.4 Å³
Cell temperature	200 ± 0.2 K
Ambient diffraction temperature	200 ± 0.2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.187
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300603 (current)	2025-07-06	cif/ Updating files of 1574181 Original log message: Adding full bibliography for 1574181.cif.	1574181.cif
298502	2025-03-19	cif/ Adding structures of 1574181 via cif-deposit CGI script.	1574181.cif