Crystallography Open Database

Information card for entry 7160215

Preview

Coordinates	7160215.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	4.6262 ± 0.0002 Å
b	10.7086 ± 0.0004 Å
c	17.0055 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	842.45 ± 0.06 Å³
Cell temperature	199.9 ± 0.14 K
Ambient diffraction temperature	199.9 ± 0.14 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	7160215.cif