Crystallography Open Database

Information card for entry 7156660

Preview

Coordinates	7156660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 N2 O2
Calculated formula	C17 H22 N2 O2
Title of publication	HFIP-promoted Michael reactions: direct para-selective C-H activation of anilines with maleimides.
Authors of publication	Li, Bang; Mao, Qi; Zhou, Jia; Liu, Feng; Ye, Na
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	8
Pages of publication	2242 - 2246
a	18.8452 ± 0.0014 Å
b	5.9542 ± 0.0004 Å
c	27.679 ± 0.002 Å
α	90°
β	103.868 ± 0.002°
γ	90°
Cell volume	3015.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.1714
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225088 (current)	2019-11-08	cif/ Updating files of 7156660 Original log message: Adding full bibliography for 7156660.cif.	7156660.cif
213363	2019-01-29	cif/ Adding structures of 7156660 via cif-deposit CGI script.	7156660.cif