Crystallography Open Database

Information card for entry 7248423

Preview

Coordinates	7248423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H40 N4 O4
Calculated formula	C46 H40 N4 O4
Title of publication	LED-induced Ru-photoredox Pd-catalyzed C–H arylation of (6-phenylpyridin-2-yl)pyrimidines and heteroaryl counterparts
Authors of publication	Antoniou, Ioakeim M.; Ioannou, Natalia; Panagiotou, Nikos; Georgiades, Savvas N.
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	17
Pages of publication	12179 - 12191
a	10.1753 ± 0.0002 Å
b	10.828 ± 0.0002 Å
c	18.8802 ± 0.0003 Å
α	102.097 ± 0.002°
β	99.993 ± 0.002°
γ	106.014 ± 0.002°
Cell volume	1894.91 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	180.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291248 (current)	2024-04-17	cif/ Adding structures of 7248423, 7248424, 7248425, 7248426, 7248427, 7248428, 7248429 via cif-deposit CGI script.	7248423.cif