Crystallography Open Database

Information card for entry 4518573

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Coordinates	4518573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 N2 O4
Calculated formula	C25 H28 N2 O4
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	6.407 ± 0.0005 Å
b	11.0997 ± 0.0012 Å
c	31.594 ± 0.004 Å
α	90°
β	91.726 ± 0.008°
γ	90°
Cell volume	2245.8 ± 0.4 Å³
Cell temperature	287 ± 1 K
Ambient diffraction temperature	287 ± 1 K
Number of distinct elements	4
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	0.1099
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1752
Weighted residual factors for all reflections included in the refinement	0.2085
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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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