Crystallography Open Database

Information card for entry 7248426

Preview

Coordinates	7248426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 F N4 O2
Calculated formula	C30 H23 F N4 O2
SMILES	n1c(nc(c(c1C)C(=O)Nc1ccccc1)c1cccc(n1)c1c(cccc1c1ccccc1)F)OC
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	29.7627 ± 0.0004 Å
b	9.05888 ± 0.00012 Å
c	18.3792 ± 0.0002 Å
α	90°
β	92.1028 ± 0.0012°
γ	90°
Cell volume	4952 ± 0.11 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 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	0.0375
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
291248 (current)	2024-04-17	cif/ Adding structures of 7248423, 7248424, 7248425, 7248426, 7248427, 7248428, 7248429 via cif-deposit CGI script.	7248426.cif