Crystallography Open Database

Information card for entry 7112760

Preview

Coordinates	7112760.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(E)-2-(4-Hydroxyphenylimino)-4-methyl-7-acetamidyl-1,8- naphthyridine
Formula	C18 H16 N4 O2.5
Calculated formula	C18 H16 N4 O2.5
SMILES	O.n1c2nc(NC(=O)C)ccc2c(cc1/C=N/c1ccc(O)cc1)C
Title of publication	A "switching on" fluorescent chemodosimeter of selectivity to Zn2+ and its application to MCF-7 cells.
Authors of publication	Li, Zhanxian; Yu, Mingming; Zhang, Lifeng; Yu, Ming; Liu, Jinxia; Wei, Liuhe; Zhang, Hongyan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	38
Pages of publication	7169 - 7171
a	7.5496 ± 0.0015 Å
b	13.657 ± 0.003 Å
c	30.427 ± 0.006 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	90 ± 0.03°
Cell volume	3137.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1322
Residual factor for significantly intense reflections	0.0937
Weighted residual factors for significantly intense reflections	0.1995
Weighted residual factors for all reflections included in the refinement	0.2247
Goodness-of-fit parameter for all reflections included in the refinement	1.195
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
181910 (current)	2016-04-06	cif/7 Fixing Z values and formulae	7112760.cif
180241	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112760.cif
112075	2014-04-29	cif/ Adding structures of 7112760 via cif-deposit CGI script.	7112760.cif