Crystallography Open Database

Information card for entry 7248356

Preview

Coordinates	7248356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H16 N2 O4
Calculated formula	C26 H20 N2 O5
SMILES	O=C(Nc1ccc(cc1)C(=O)/C=C/c1cc2OCOc2cc1)c1cc2c(nc1)cccc2.O
Title of publication	Nonlinear optical and spectroscopic properties, thermal analysis, and hemolytic capacity evaluation of quinoline-1,3-benzodioxole chalcone
Authors of publication	Polo-Cuadrado, Efraín; Osorio, Edison; Acosta-Quiroga, Karen; Camargo-Ayala, Paola Andrea; Brito, Iván; Rodriguez, Jany; Alderete, Joel B.; Forero-Doria, Oscar; Blanco-Acuña, Edgard Fabián; Gutiérrez, Margarita
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	15
Pages of publication	10199 - 10208
a	31.7839 ± 0.0012 Å
b	5.0577 ± 0.0002 Å
c	26.4285 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4248.5 ± 0.3 Å³
Cell temperature	299 K
Ambient diffraction temperature	299 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290695 (current)	2024-03-28	cif/ Adding structures of 7248356 via cif-deposit CGI script.	7248356.cif