Crystallography Open Database

Information card for entry 7063797

Preview

Coordinates	7063797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H12 B F12 N3
Calculated formula	C32 H12 B F12 N3
Title of publication	Novel aza-BODIPY-carborane conjugates: synthesis and characterization
Authors of publication	Zaitsev, Andrei V.; Smol’yakov, Alexander F.; Kononova, Elena G.; Ol'shevskaya, Valentina A.
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	21
Pages of publication	9035 - 9042
a	14.4795 ± 0.0018 Å
b	7.2223 ± 0.0008 Å
c	25.558 ± 0.003 Å
α	90°
β	91.254 ± 0.006°
γ	90°
Cell volume	2672.1 ± 0.5 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1662
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	0.891
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
301078 (current)	2025-07-06	cif/ Updating files of 7063795, 7063796, 7063797, 7063798 Original log message: Adding full bibliography for 7063795--7063798.cif.	7063797.cif
299681	2025-05-15	cif/ Adding structures of 7063795, 7063796, 7063797, 7063798 via cif-deposit CGI script.	7063797.cif