Crystallography Open Database

Information card for entry 7229878

Preview

Coordinates	7229878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 N3 O3 S
Calculated formula	C14 H15 N3 O3 S
SMILES	S=C(NC)N/N=C(C)/c1c(=O)oc2cc(OC)ccc2c1
Title of publication	An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release
Authors of publication	Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	3
Pages of publication	1539
a	17.5595 ± 0.0009 Å
b	17.5595 ± 0.0009 Å
c	8.6657 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	2314 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1141
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation probe	x-ray
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
204738 (current)	2018-01-05	cif/ Adding structures of 7229876, 7229877, 7229878, 7229879, 7229880, 7229881 via cif-deposit CGI script.	7229878.cif