Crystallography Open Database

Information card for entry 7160211

Preview

Coordinates	7160211.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	5.4717 ± 0.0003 Å
b	9.3558 ± 0.0005 Å
c	7.3148 ± 0.0004 Å
α	90°
β	95.154 ± 0.005°
γ	90°
Cell volume	372.95 ± 0.04 Å³
Cell temperature	98.8 ± 0.6 K
Ambient diffraction temperature	98.8 ± 0.6 K
Number of distinct elements	4
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	0.0257
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7160211.cif