Crystallography Open Database

Information card for entry 7241129

Preview

Coordinates	7241129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 N2 O S
Calculated formula	C21 H18 N2 O S
SMILES	S(c1ccc(cc1)C)c1n2c(nc1c1ccc(OC)cc1)cccc2
Title of publication	Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade
Authors of publication	Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	19
Pages of publication	6334 - 6339
a	11.37 ± 0.0004 Å
b	10.2878 ± 0.0004 Å
c	14.5801 ± 0.0006 Å
α	90°
β	97.519 ± 0.004°
γ	90°
Cell volume	1690.8 ± 0.11 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
258874 (current)	2020-11-06	cif/ Updating files of 7241129, 7241130, 7241131 Original log message: Adding full bibliography for 7241129--7241131.cif.	7241129.cif
255681	2020-08-27	cif/ Adding structures of 7241129, 7241130, 7241131 via cif-deposit CGI script.	7241129.cif