Crystallography Open Database

Information card for entry 1576901

Preview

Coordinates	1576901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 N O4 P
Calculated formula	C25 H20 N O4 P
Title of publication	Synergistic Diselenide/Guanidine Catalyzed Dehydrophosphorylation of 2-Nitrobenzhydrols to Access C-Stereogenic Phosphinates
Authors of publication	Yang, Shang-Dong; Gong, Jin-Yu; Zhou, Panpan; Qiao, Yu-Hao; Qi, Zhichao; Zuo, Qian-Min; Fang, Qing-Xia
Journal of publication	Chemical Science
Year of publication	2026
a	10.3333 ± 0.0001 Å
b	10.3333 ± 0.0001 Å
c	39.8477 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4254.82 ± 0.08 Å³
Cell temperature	295.22 ± 0.1 K
Ambient diffraction temperature	295.22 ± 0.1 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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

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