Crystallography Open Database

Information card for entry 4104578

Preview

Coordinates	4104578.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-ethyl-1,2 dihydro-1-methyl-4-phenyl-2-propylquinoline
Formula	C21 H24.5 N
Calculated formula	C21 H24.5 N
Title of publication	Synthesis of a Simplified Version of Stable Bulky and Rigid Cyclic (Alkyl)(amino)carbenes, and Catalytic Activity of the Ensuing Gold(I) Complex in the Three-Component Preparation of 1,2-Dihydroquinoline Derivatives
Authors of publication	Xiaoming Zeng; Guido D. Frey; Rei Kinjo; Bruno Donnadieu; Guy Bertrand
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	8690 - 8696
a	9.7579 ± 0.0017 Å
b	12.115 ± 0.002 Å
c	14.384 ± 0.003 Å
α	90°
β	98.7 ± 0.002°
γ	90°
Cell volume	1680.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1882
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4104578.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104578.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104578.cif
29604	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104578 via cif-deposit CGI script.	4104578.cif