Crystallography Open Database

Information card for entry 7234771

Preview

Coordinates	7234771.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TBOXD
Chemical name	2,2-bis(thienyl)-bi-1,3,4-oxadiazole
Formula	C12 H6 N4 O2 S2
Calculated formula	C12 H6 N4 O2 S2
Title of publication	Crystal structures, intermolecular interactions and fluorescence properties of a series of symmetrical bi-1,3,4-oxadiazole derivatives
Authors of publication	Fangyi Chen; Taiji Tian; Binglian Bai; Jian Wang; Haitao Wang; Min Li
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	4451 - 4458
a	3.8535 ± 0.0008 Å
b	15.665 ± 0.003 Å
c	10.114 ± 0.002 Å
α	90°
β	97.98 ± 0.03°
γ	90°
Cell volume	604.6 ± 0.2 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	0.0519
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
220064 (current)	2019-10-28	cif/ Adding structures of 7234766, 7234767, 7234768, 7234769, 7234770, 7234771 via cif-deposit CGI script.	7234771.cif