Crystallography Open Database

Information card for entry 7160214

Preview

Coordinates	7160214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 N4 S
Calculated formula	C8 H6 N4 S
Title of publication	Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole
Authors of publication	Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	5.4747 ± 0.0002 Å
b	15.4161 ± 0.0006 Å
c	10.5241 ± 0.0004 Å
α	90°
β	104.253 ± 0.004°
γ	90°
Cell volume	860.88 ± 0.06 Å³
Cell temperature	199.95 ± 0.1 K
Ambient diffraction temperature	199.95 ± 0.1 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
295817 (current)	2024-11-07	cif/ Adding structures of 7160210, 7160211, 7160212, 7160213, 7160214, 7160215, 7160216, 7160217 via cif-deposit CGI script.	7160214.cif