Crystallography Open Database

Information card for entry 7158153

Preview

Coordinates	7158153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H9 N3
Calculated formula	C11 H9 N3
SMILES	n12c3ccccc3cc(c2cnn1)C
Title of publication	Indium-mediated annulation of 2-azidoaryl aldehydes with propargyl bromides to [1,2,3]triazolo[1,5-<i>a</i>]quinolines.
Authors of publication	Zhang, Xiaomin; Yang, Jiali; Xiong, Ni; Han, Zhe; Duan, Xinhua; Zeng, Rong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	28
Pages of publication	6346 - 6352
a	14.159 ± 0.003 Å
b	17.002 ± 0.004 Å
c	7.473 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1799 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
268956 (current)	2021-09-06	cif/ Updating files of 7158153 Original log message: Adding full bibliography for 7158153.cif.	7158153.cif
266837	2021-07-01	cif/ Adding structures of 7158153 via cif-deposit CGI script.	7158153.cif