Crystallography Open Database

Information card for entry 7160718

Preview

Coordinates	7160718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H16 B F7 N4
Calculated formula	C29 H16 B F7 N4
Title of publication	New carborane-BODIPY conjugates: synthesis, photochemical properties and tumor cell photodamage.
Authors of publication	Zaitsev, Andrei V.; Markova, Alina A.; Nguyen, Minh Tuan; Makarenkov, Anton V.; Shibaeva, Anna V.; Burtsev, Ivan D.; Egorov, Anton E.; Smol'yakov, Alexander F.; Kononova, Elena G.; Kuzmin, Vladimir A.; Shtil, Alexander A.; Ol'shevskaya, Valentina A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	37
Pages of publication	8553 - 8569
a	15.992 ± 0.004 Å
b	13.585 ± 0.003 Å
c	12.295 ± 0.003 Å
α	90°
β	115.494 ± 0.009°
γ	90°
Cell volume	2411 ± 1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
302747 (current)	2025-10-06	cif/ Updating files of 7160718, 7160719 Original log message: Adding full bibliography for 7160718--7160719.cif.	7160718.cif
302043	2025-09-06	cif/ Adding structures of 7160718, 7160719 via cif-deposit CGI script.	7160718.cif