Crystallography Open Database

Information card for entry 7229876

Preview

Coordinates	7229876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 N3 O4 S
Calculated formula	C14 H17 N3 O4 S
SMILES	S=C(N)N/N=C(\C)c1c(=O)oc2cc(OC)ccc2c1.OC
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	8.3702 ± 0.0006 Å
b	8.8979 ± 0.0008 Å
c	12.4669 ± 0.0009 Å
α	97.411 ± 0.007°
β	106.008 ± 0.006°
γ	113.67 ± 0.008°
Cell volume	786.53 ± 0.13 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.2032
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7229876.cif