Crystallography Open Database

Information card for entry 7245865

Preview

Coordinates	7245865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H28 N6 O
Calculated formula	C31 H28 N6 O
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	8.156 ± 0.002 Å
b	9.356 ± 0.002 Å
c	19.728 ± 0.005 Å
α	101.682 ± 0.005°
β	92.413 ± 0.005°
γ	114.101 ± 0.005°
Cell volume	1332.5 ± 0.6 Å³
Cell temperature	294.94 K
Ambient diffraction temperature	294.94 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	0.1508
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.2034
Weighted residual factors for all reflections included in the refinement	0.2631
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	7245865.cif