Crystallography Open Database

Information card for entry 4305926

Preview

Coordinates	4305926.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ORGSCN
Formula	C13 H10 N4 O S
Calculated formula	C13 H10 N4 O0.5 S
SMILES	[S-]C#N.[n+]12c3cc(ccc3ncc1cccc2)N.O
Title of publication	CuII-Mediated Synthesis of a New Fluorescent Pyrido[1,2-a]quinoxalin-11-ium Derivative
Authors of publication	Rik Rani Koner; Manabendra Ray
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9122 - 9124
a	9.3055 ± 0.0009 Å
b	11.6353 ± 0.0011 Å
c	12.8604 ± 0.0013 Å
α	106.728 ± 0.006°
β	90.896 ± 0.007°
γ	108.176 ± 0.006°
Cell volume	1258.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1137
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1949
Weighted residual factors for all reflections included in the refinement	0.2211
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179097 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/59.	4305926.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305926.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305926.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305926.cif