Crystallography Open Database

Information card for entry 7061758

Preview

Coordinates	7061758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 N O P
Calculated formula	C25 H22 N O P
Title of publication	Regioselective transformation of 3-phosphoryl benzyne intermediates to diverse phosphorus-substituted arenes
Authors of publication	Wang, Jing; Li, Zenghui; You, Gaoqiang; Xu, Liang; Gao, Pin; Rao, Bin
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	35
Pages of publication	17049 - 17054
a	12.6473 ± 0.0011 Å
b	12.3611 ± 0.0009 Å
c	13.858 ± 0.0011 Å
α	90°
β	107.269 ± 0.003°
γ	90°
Cell volume	2068.8 ± 0.3 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1164
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7061758.html