Crystallography Open Database

Information card for entry 7249152

Preview

Coordinates	7249152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H13 B F4 N2 O2
Calculated formula	C8 H13 B F4 N2 O2
Title of publication	Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity
Authors of publication	Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
Journal of publication	RSC Medicinal Chemistry
Year of publication	2024
a	8.1082 ± 0.0007 Å
b	8.1979 ± 0.001 Å
c	9.6164 ± 0.0011 Å
α	79.2 ± 0.01°
β	88.373 ± 0.008°
γ	66.083 ± 0.01°
Cell volume	573.16 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1366
Residual factor for significantly intense reflections	0.102
Weighted residual factors for significantly intense reflections	0.2657
Weighted residual factors for all reflections included in the refinement	0.2979
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
293611 (current)	2024-08-01	cif/ Adding structures of 7249150, 7249151, 7249152, 7249153, 7249154, 7249155, 7249156, 7249157, 7249158, 7249159, 7249160 via cif-deposit CGI script.	7249152.cif