Crystallography Open Database

Information card for entry 7241131

Preview

Coordinates	7241131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 N2 S
Calculated formula	C25 H20 N2 S
SMILES	S(c1n2c(nc1c1ccc(C)cc1)c1ccccc1cc2)c1ccc(C)cc1
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	5.6915 ± 0.0002 Å
b	12.7636 ± 0.0006 Å
c	26.8264 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1948.78 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1068
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7241131.cif
255681	2020-08-27	cif/ Adding structures of 7241129, 7241130, 7241131 via cif-deposit CGI script.	7241131.cif