Crystallography Open Database

Information card for entry 7156956

Preview

Coordinates	7156956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N2 O2 S
Calculated formula	C20 H18 N2 O2 S
Title of publication	Synthesis of thiazolo[2,3-b]quinazoline derivatives via base-promoted cascade bicyclization of o-alkenylphenyl isothiocyanates with propargylamines.
Authors of publication	Miao, Jiankang; Sang, Xiaoyan; Wang, Yi; Deng, Shufeng; Hao, Wenyan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	29
Pages of publication	6994 - 6997
a	19.1784 ± 0.001 Å
b	5.9217 ± 0.0003 Å
c	15.119 ± 0.0009 Å
α	90°
β	92.959 ± 0.005°
γ	90°
Cell volume	1714.76 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0598
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
225023 (current)	2019-11-08	cif/ Updating files of 7156956 Original log message: Adding full bibliography for 7156956.cif.	7156956.cif
216785	2019-07-06	cif/ Adding structures of 7156956 via cif-deposit CGI script.	7156956.cif