Crystallography Open Database

Information card for entry 4519180

4519179 << 4519180 >> 4519181

Preview

Coordinates	4519180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 N O
Calculated formula	C22 H29 N O
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	7.5807 ± 0.00012 Å
b	11.25264 ± 0.00018 Å
c	21.8958 ± 0.0005 Å
α	90°
β	97.6552 ± 0.0019°
γ	90°
Cell volume	1851.13 ± 0.06 Å³
Cell temperature	100 ± 0.14 K
Ambient diffraction temperature	100 ± 0.14 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
271046 (current)	2021-12-03	cif/ Adding structures of 4519180 via cif-deposit CGI script.	4519180.cif