Crystallography Open Database

Information card for entry 4305927

Preview

Coordinates	4305927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Cl N3 O4
Calculated formula	C12 H10 Cl N3 O4.018
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	6.3291 ± 0.0001 Å
b	12.9283 ± 0.0003 Å
c	15.4054 ± 0.0004 Å
α	90°
β	100.091 ± 0.001°
γ	90°
Cell volume	1241.04 ± 0.05 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	0.871
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4305927.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305927.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305927.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305927.cif