Crystallography Open Database

Information card for entry 7160521

Preview

Coordinates	7160521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 O3 S
Calculated formula	C26 H16 O3 S
Title of publication	Metal-free, Visible-Light-Mediated Phototransformations of ortho-Biaryl Appended Chalcones: Access to Oxathia[5]helicenes and 1,2,3,4-Tetrasubstituted Cyclobutanes.
Authors of publication	Shirinian, Valerii Z.; Zakharov, Alexey V.; Evsikova, Eva E.; Grebennikova, Polina D.; Krylova, Maria A.; Fakhrutdinov, Artem
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	7.74314 ± 0.00005 Å
b	7.47998 ± 0.00005 Å
c	31.73273 ± 0.00018 Å
α	90°
β	94.3152 ± 0.0005°
γ	90°
Cell volume	1832.7 ± 0.02 Å³
Cell temperature	99.97 ± 0.1 K
Ambient diffraction temperature	99.97 ± 0.1 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	0.0347
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299459 (current)	2025-04-30	cif/ Adding structures of 7160521, 7160522 via cif-deposit CGI script.	7160521.cif