Crystallography Open Database

Information card for entry 4518024

Preview

Coordinates	4518024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 N2
Calculated formula	C21 H18 N2
Title of publication	Lewis Acid/Hexafluoroisopropanol: A Promoter System for Selective ortho-C-Alkylation of Anilines with Deactivated Styrene Derivatives and Unactivated Alkenes
Authors of publication	Wang, Shengdong; Force, Guillaume; Guillot, Régis; Carpentier, Jean-François; Sarazin, Yann; Bour, Christophe; Gandon, Vincent; Lebœuf, David
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	10794
a	8.9756 ± 0.0004 Å
b	9.0718 ± 0.0004 Å
c	11.0372 ± 0.0005 Å
α	84.016 ± 0.001°
β	85.238 ± 0.001°
γ	62.683 ± 0.001°
Cell volume	793.5 ± 0.06 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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
256258 (current)	2020-09-10	cif/ Adding structures of 4518024 via cif-deposit CGI script.	4518024.cif