Crystallography Open Database

Information card for entry 7160212

Preview

Coordinates	7160212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 N4 S2
Calculated formula	C8 H8 N4 S2
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	10.3127 ± 0.0008 Å
b	5.0803 ± 0.0002 Å
c	10.6479 ± 0.0007 Å
α	90°
β	118.281 ± 0.009°
γ	90°
Cell volume	491.27 ± 0.07 Å³
Cell temperature	292.95 ± 0.1 K
Ambient diffraction temperature	292.95 ± 0.1 K
Number of distinct elements	4
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	0.0448
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7160212.cif