Crystallography Open Database

Information card for entry 7156542

Preview

Coordinates	7156542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N2 O2
Calculated formula	C20 H18 N2 O2
Title of publication	Nickel-catalyzed regioselective arylation of aromatic amides with aryl iodides enabled by an N,O-bidentate directing group.
Authors of publication	Li, Pinhua; Wang, Guan-Wu; Chen, Hao; Wang, Lei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	45
Pages of publication	8783 - 8790
a	7.8748 ± 0.0004 Å
b	14.7543 ± 0.0006 Å
c	15.7507 ± 0.0006 Å
α	68.6045 ± 0.0014°
β	85.8107 ± 0.0017°
γ	77.4717 ± 0.0017°
Cell volume	1663.3 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1203
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.2091
Weighted residual factors for all reflections included in the refinement	0.2241
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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