Crystallography Open Database

Information card for entry 7160213

Preview

Coordinates	7160213.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	8.1698 ± 0.0004 Å
b	5.5451 ± 0.0003 Å
c	19.2296 ± 0.0009 Å
α	90°
β	97.039 ± 0.004°
γ	90°
Cell volume	864.58 ± 0.08 Å³
Cell temperature	200 ± 0.14 K
Ambient diffraction temperature	200 ± 0.14 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	0.0527
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1412
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7160213.cif