Crystallography Open Database

Information card for entry 7160619

Preview

Coordinates	7160619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 N3 O4 S3
Calculated formula	C22 H29 N3 O4 S3
Title of publication	Multi-purpose thiocyanate protic ionic liquids in chemodivergent transformations of imidazolidin-2-(thi)one-based diols
Authors of publication	Ermolaev, Valery P.; Ratmanova, Nina K.; Baranov, Vladimir Vladimirovich; Levina, Irina I.; Khrustalev, Victor N.; Ivanova, Olga Alexandrovna; Kravchenko, Angelina N.; Trushkov, Igor V.; Andreev, Ivan A.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	8.2074 ± 0.00006 Å
b	8.8393 ± 0.00008 Å
c	17.27472 ± 0.00017 Å
α	97.5406 ± 0.0008°
β	97.5177 ± 0.0007°
γ	94.5922 ± 0.0007°
Cell volume	1225.68 ± 0.019 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
300287 (current)	2025-07-02	cif/ Adding structures of 7160619, 7160620, 7160621, 7160622 via cif-deposit CGI script.	7160619.cif