Crystallography Open Database

Information card for entry 4035503

Preview

Coordinates	4035503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21.25 N O5.25
Calculated formula	C22 H21.25 N O5.25
Title of publication	Palladium(II)-Catalyzed Mono- and Bis-alkenylation of N-Acetyl-2-aminobiaryls through Regioselective C-H Bond Activation.
Authors of publication	Annamalai, Pratheepkumar; Hsu, Kou-Chi; Raju, Selvam; Hsiao, Huan-Chang; Chou, Chih-Wei; Lin, Gu-Ying; Hsieh, Cheng-Ming; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	7
Pages of publication	3840 - 3856
a	16.2526 ± 0.0004 Å
b	16.9979 ± 0.0005 Å
c	14.2159 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3927.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1808
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
226951 (current)	2019-11-11	cif/ Adding structures of 4035503 via cif-deposit CGI script.	4035503.cif