Crystallography Open Database

Information card for entry 4335419

Preview

Coordinates	4335419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 N2 O2
Calculated formula	C16 H12 N2 O2
SMILES	C1(=O)C=Cc2ccccc2/C1=C/Nc1c(cccn1)O
Title of publication	A Highly Selective Fluorescent Chemosensor for AlIII Ion and Fluorescent Species Formed in the Solution
Authors of publication	Wei-Hua Ding; Wei, Cao; Xiang-Jun Zheng; De-Cai Fang; Wing-Tak Wong; Lin-Pei Jin
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7320 - 7322
a	8.7918 ± 0.0019 Å
b	5.902 ± 0.0013 Å
c	12.126 ± 0.003 Å
α	90°
β	90.288 ± 0.004°
γ	90°
Cell volume	629.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335419.cif
101347	2014-02-11	cif/ Adding structures of 4335419 via cif-deposit CGI script.	4335419.cif