Crystallography Open Database

Information card for entry 7218619

Preview

Coordinates	7218619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N2 O3
Calculated formula	C18 H16 N2 O3
SMILES	O=N(=O)c1cc(/C=C/C2=Nc3c(cccc3)C2(C)C)c(O)cc1
Title of publication	Styrylcyanine-based ratiometric and tunable fluorescent pH sensors
Authors of publication	Thottiparambil, Abhineeshbabu; Anil Kumar, P. R.; Chakkumkumarath, Lakshmi
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	99
Pages of publication	56063
a	16.299 ± 0.002 Å
b	5.7664 ± 0.0006 Å
c	16.537 ± 0.002 Å
α	90°
β	92.692 ± 0.005°
γ	90°
Cell volume	1552.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180517 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/86.	7218619.cif
126085	2014-10-31	cif/ Adding structures of 7218618, 7218619 via cif-deposit CGI script.	7218619.cif