Crystallography Open Database

Information card for entry 4518571

Preview

Coordinates	4518571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 N4 O3
Calculated formula	C27 H30 N4 O3
Title of publication	Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy
Authors of publication	Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	7
Pages of publication	4263 - 4270
a	5.836 ± 0.0007 Å
b	10.2615 ± 0.0016 Å
c	21.051 ± 0.003 Å
α	82.853 ± 0.013°
β	85.165 ± 0.012°
γ	89.89 ± 0.012°
Cell volume	1246.4 ± 0.3 Å³
Cell temperature	291.51 ± 0.1 K
Ambient diffraction temperature	291.51 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1103
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.173
Weighted residual factors for all reflections included in the refinement	0.1947
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263583 (current)	2021-04-04	cif/ Updating files of 4518571, 4518572, 4518573 Original log message: Adding full bibliography for 4518571--4518573.cif.	4518571.cif
263207	2021-03-21	cif/ Adding structures of 4518571 via cif-deposit CGI script.	4518571.cif