Crystallography Open Database

Information card for entry 7056820

Preview

Coordinates	7056820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 N O2
Calculated formula	C15 H11 N O2
SMILES	O=C1/C(=C(\O)c2ccncc2)Cc2ccccc12
Title of publication	Anticarcinogenic and metal chelation properties of novel hydroxybenzylidene-1-indanone derivatives in the U-251 glioblastoma cell line
Authors of publication	Lozano-Gonzalez, Mariana; Ramírez-Apan, María Teresa; Nieto-Camacho, Antonio; Toscano, Ruben Alfredo; Sanchez-Sandoval, Ana Laura; Alvarez-Toledano, Cecilio
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	5
Pages of publication	3878
a	20.7006 ± 0.0007 Å
b	10.2318 ± 0.0003 Å
c	14.8913 ± 0.0005 Å
α	90°
β	133.694 ± 0.001°
γ	90°
Cell volume	2280.5 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0638
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
230255 (current)	2019-11-17	cif/ Updating files of 7056820, 7056821 Original log message: Adding full bibliography for 7056820--7056821.cif.	7056820.cif
204307	2017-12-16	cif/ Adding structures of 7056820, 7056821 via cif-deposit CGI script.	7056820.cif