Crystallography Open Database

Information card for entry 7218591

Preview

Coordinates	7218591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 N4 O9 S
Calculated formula	C29 H22 N4 O9 S
SMILES	S(=O)(=O)(Oc1cc(N2C(=O)c3c4c(c(N5CCCCC5)cc3)cccc4C2=O)ccc1)c1c(N(=O)=O)cc(N(=O)=O)cc1
Title of publication	Structural imposition on off-on response of naphthalimide based probes for selective thiophenol sensing
Authors of publication	Kand, Dnyaneshwar; Mandal, Prashant Sahebrao; Saha, Tanmoy; Talukdar, Pinaki
Journal of publication	RSC Adv.
Year of publication	2014
a	9.845 ± 0.003 Å
b	10.397 ± 0.003 Å
c	12.979 ± 0.003 Å
α	86.88 ± 0.007°
β	81.723 ± 0.007°
γ	84.775 ± 0.007°
Cell volume	1308.1 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1017
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	7218591.cif
125837	2014-10-25	cif/ Adding structures of 7218591, 7218592 via cif-deposit CGI script.	7218591.cif