Crystallography Open Database

Information card for entry 7160210

Preview

Coordinates	7160210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H2 N6 S2
Calculated formula	C4 H2 N6 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	3.7758 ± 0.0004 Å
b	18.2803 ± 0.0016 Å
c	5.4893 ± 0.0007 Å
α	90°
β	109.377 ± 0.013°
γ	90°
Cell volume	357.42 ± 0.07 Å³
Cell temperature	98.4 ± 0.8 K
Ambient diffraction temperature	98.4 ± 0.8 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	0.0352
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	7160210.cif