Crystallography Open Database

Information card for entry 7245868

Preview

Coordinates	7245868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N6
Calculated formula	C27.9998 H21.9996 N6
Title of publication	Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines
Authors of publication	Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	51
Pages of publication	33032 - 33048
a	10.4257 ± 0.0014 Å
b	13.8104 ± 0.0017 Å
c	16.57 ± 0.002 Å
α	90°
β	101.663 ± 0.003°
γ	90°
Cell volume	2336.5 ± 0.5 Å³
Cell temperature	296.86 K
Ambient diffraction temperature	296.86 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
279379 (current)	2022-11-18	cif/ Adding structures of 7245865, 7245866, 7245867, 7245868, 7245869 via cif-deposit CGI script.	7245868.cif