Crystallography Open Database

Information card for entry 7160719

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Coordinates	7160719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H26 B F17 N10 O
Calculated formula	C46 H26 B F17 N10 O
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
a	32.7758 ± 0.001 Å
b	10.8044 ± 0.0004 Å
c	25.4493 ± 0.0008 Å
α	90°
β	103.165 ± 0.002°
γ	90°
Cell volume	8775.3 ± 0.5 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
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	0.1819
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
302043 (current)	2025-09-06	cif/ Adding structures of 7160718, 7160719 via cif-deposit CGI script.	7160719.cif