Crystallography Open Database

Information card for entry 1514932

Preview

Coordinates	1514932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 N S
Calculated formula	C15 H11 N S
SMILES	c1(cccc2ccccc12)/N=C/c1cccs1
Title of publication	Thiophene anchored naphthalene derivative: Cr3+ selective turn-on fluorescent probe for living cell imaging
Authors of publication	Das, Sudipta; Sahana, Animesh; Banerjee, Arnab; Lohar, Sisir; Guha, Subarna; Matalobos, Jesús Sanmartín; Das, Debasis
Journal of publication	Analytical Methods
Year of publication	2012
Journal volume	4
Journal issue	8
Pages of publication	2254
a	10.7541 ± 0.0018 Å
b	20.966 ± 0.004 Å
c	10.5543 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2379.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	1514932.cif
110790	2014-04-20	cif/ Adding structures of 1514932 via cif-deposit CGI script.	1514932.cif