Crystallography Open Database

Information card for entry 7160522

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Coordinates	7160522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H19 Cl O3
Calculated formula	C28 H19 Cl O3
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	4.4365 ± 0.0001 Å
b	11.7816 ± 0.0002 Å
c	40.0556 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2093.67 ± 0.07 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.054
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1384
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	7160522.cif