Crystallography Open Database

Information card for entry 7238791

Preview

Coordinates	7238791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N4 O3
Calculated formula	C18 H16 N4 O3
Title of publication	Synthesis of fused triazolo[4,5-d]quinoline/chromene/thiochromene derivatives via palladium catalysis mediated by tetrabutylammonium iodide
Authors of publication	Chen, Chung-Yu; Yang, Cheng-Hao; Hu, Wan-Ping; Kishore Vandavasi, Jaya; Chung, Mei-Ing; Wang, Jeh-Jeng
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	8
Pages of publication	2710
a	9.5689 ± 0.0005 Å
b	14.041 ± 0.0007 Å
c	11.5099 ± 0.0006 Å
α	90°
β	91.885 ± 0.005°
γ	90°
Cell volume	1545.6 ± 0.14 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
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	0.0717
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
244354 (current)	2019-11-28	cif/ Adding structures of 7238790, 7238791, 7238792 via cif-deposit CGI script.	7238791.cif