Crystallography Open Database

Information card for entry 7021307

Preview

Coordinates	7021307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 N O S
Calculated formula	C16 H13 N O S
Title of publication	A naphthalene-thiophene hybrid molecule as a fluorescent AND logic gate with Zn(2+) and OAc(-) ions as inputs: cell imaging and computational studies.
Authors of publication	Karak, Debasis; Das, Sudipta; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Hauli, Ipsit; Mukhopadhyay, Subhra Kanti; Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann; Das, Debasis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	19
Pages of publication	6708 - 6715
a	9.8568 ± 0.0012 Å
b	9.8036 ± 0.001 Å
c	13.8407 ± 0.0019 Å
α	90°
β	108.52 ± 0.01°
γ	90°
Cell volume	1268.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0751
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179918 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/13.	7021307.cif
86178	2013-05-09	cif/ Adding structures of 7021307, 7021308 via cif-deposit CGI script.	7021307.cif