Crystallography Open Database

Information card for entry 1514924

Preview

Coordinates	1514924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 N O2
Calculated formula	C16 H13 N O2
SMILES	O=C1C=Cc2c(/C1=C/NCc1ccco1)cccc2
Title of publication	A water soluble Al3+ selective colorimetric and fluorescent turn-on chemosensor and its application in living cell imaging.
Authors of publication	Sen, Supriti; Mukherjee, Titas; Chattopadhyay, Basab; Moirangthem, Anuradha; Basu, Anupam; Marek, Jaromir; Chattopadhyay, Pabitra
Journal of publication	The Analyst
Year of publication	2012
Journal volume	137
Journal issue	17
Pages of publication	3975 - 3981
a	9.7368 ± 0.0005 Å
b	9.5514 ± 0.0004 Å
c	13.8091 ± 0.0007 Å
α	90°
β	107.501 ± 0.005°
γ	90°
Cell volume	1224.8 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.05
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514924.cif
129586	2015-01-13	cif/1 Fixing Z values and formulae for several entries	1514924.cif
110786	2014-04-20	cif/ Adding structures of 1514924 via cif-deposit CGI script.	1514924.cif