Crystallography Open Database

Information card for entry 7218588

Preview

Coordinates	7218588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 N2 S
Calculated formula	C19 H12 N2 S
SMILES	s1cc(nc1N)c1c2ccc3cccc4c3c2c(cc4)cc1
Title of publication	Pyrene thiazole-conjugate as ratiometric chemosensor with high selectivity and sensitivity for tin (Sn4+) and its application in imaging live cells
Authors of publication	Mahapatra, Ajit Kumar; Mondal, Sanchita; Maiti, Kalipada; Manna, Saikat Kumar; Maji, Rajkishor; Mandal, Debasish; Mandal, Sukhendu; Goswami, Shyamaprosad Kumar; Quah, Ching Kheng; Fun, Hoong Kun
Journal of publication	RSC Adv.
Year of publication	2014
a	10.2235 ± 0.0009 Å
b	12.4997 ± 0.0011 Å
c	11.191 ± 0.001 Å
α	90°
β	100.662 ± 0.0015°
γ	90°
Cell volume	1405.4 ± 0.2 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 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	0.0465
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
180516 (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 7/21/85.	7218588.cif
125835	2014-10-25	cif/ Adding structures of 7218588 via cif-deposit CGI script.	7218588.cif