Crystallography Open Database

Information card for entry 4519179

4519178 << 4519179 >> 4519180

Preview

Coordinates	4519179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 N O3
Calculated formula	C20 H23 N O3
Title of publication	Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines
Authors of publication	Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	22
Pages of publication	13962 - 13972
a	5.1608 ± 0.0001 Å
b	12.7726 ± 0.0004 Å
c	25.3964 ± 0.0007 Å
α	90°
β	93.866 ± 0.002°
γ	90°
Cell volume	1670.24 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0746
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271045 (current)	2021-12-03	cif/ Adding structures of 4519179 via cif-deposit CGI script.	4519179.cif