Crystallography Open Database

Information card for entry 7157685

Preview

Coordinates	7157685.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-benzyl-3-(p-tolyl)-[1,2,3]triazolo[1,5-a]quinoline
Formula	C24 H19 N3
Calculated formula	C24 H19 N3
SMILES	n12nnc(c1c(Cc1ccccc1)cc1c2cccc1)c1ccc(cc1)C
Title of publication	Copper-catalyzed cross-coupling and sequential allene-mediated cyclization for the synthesis of 1,2,3-triazolo[1,5-<i>a</i>]quinolines.
Authors of publication	Yang, Jianhua; Xiong, Shaoqi; Ren, Yongsheng; Xiao, Tiebo; Jiang, Yubo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	36
Pages of publication	7174 - 7182
a	18.4957 ± 0.0013 Å
b	7.8032 ± 0.0005 Å
c	25.76 ± 0.002 Å
α	90°
β	92.571 ± 0.007°
γ	90°
Cell volume	3714.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1387
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1772
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation probe	x-ray
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
258971 (current)	2020-11-06	cif/ Updating files of 7157685 Original log message: Adding full bibliography for 7157685.cif.	7157685.cif
255707	2020-08-28	cif/ Adding structures of 7157685 via cif-deposit CGI script.	7157685.cif