Crystallography Open Database

Information card for entry 7134641

Preview

Coordinates	7134641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H39 Al N2
Calculated formula	C28 H39 Al N2
Title of publication	Alkylaluminium-catalyzed regioselective hydrophosphinylation of α,β-unsaturated ketones into γ-ketophosphine oxides
Authors of publication	Chen, Yiwen; Pang, Ziyuan; Li, Gege; Yang, Xiaobo; Yan, Wenliang; Li, Qifeng; Dong, Xuan; Ma, Xiaoli; Yang, Zhi
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	53
Pages of publication	9666 - 9669
a	16.5787 ± 0.0004 Å
b	20.7155 ± 0.0004 Å
c	29.815 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	10239.5 ± 0.4 Å³
Cell temperature	99.9 ± 0.2 K
Ambient diffraction temperature	99.9 ± 0.2 K
Number of distinct elements	4
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	0.0692
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300428 (current)	2025-07-06	cif/ Updating files of 7134639, 7134640, 7134641, 7134642 Original log message: Adding full bibliography for 7134639--7134642.cif.	7134641.cif
299879	2025-05-31	cif/ Adding structures of 7134639, 7134640, 7134641, 7134642 via cif-deposit CGI script.	7134641.cif