Crystallography Open Database

Information card for entry 7061067

Preview

Coordinates	7061067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32.5 N4 O5.25
Calculated formula	C30 H32.5 N4 O5.25
Title of publication	Synthesis, cytotoxicity and antioxidant activity of new 1,3-dimethyl-8-(chromon-3-yl)-xanthine derivatives containing 2,6-di-tert-butylphenol fragments
Authors of publication	Shatokhin, Stanislav S.; Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Markova, Alina A.; Pozdnyakov, Dmitry I.; Denisov, Gleb L.; Melnikova, Elizaveta K.; Bulychev, Boris M.; Oganesyan, Eduard T.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	2
Pages of publication	621 - 631
a	9.7391 ± 0.0008 Å
b	25.2387 ± 0.0019 Å
c	11.2459 ± 0.0009 Å
α	90°
β	93.42 ± 0.002°
γ	90°
Cell volume	2759.3 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.1344
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272731 (current)	2022-02-04	cif/ Updating files of 7061067 Original log message: Adding full bibliography for 7061067.cif.	7061067.cif
270742	2021-11-18	cif/ Adding structures of 7061067 via cif-deposit CGI script.	7061067.cif