Crystallography Open Database

Information card for entry 7053081

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Structure parameters

Formula	C24 H24 N2 O2 S2
Calculated formula	C24 H24 N2 O2 S2
SMILES	S(CCSCc1nc2ccc(OC)cc2cc1)Cc1nc2ccc(OC)cc2cc1
Title of publication	Thioether-tethered bisquinoline derivatives as fluorescent probes for mercury(ii) and iron(iii) ions
Authors of publication	Mikata, Yuji; Nakagaki, Fumie; Nakanishi, Kaori
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	8
Pages of publication	2236
a	45.859 ± 0.004 Å
b	6.0059 ± 0.0004 Å
c	15.782 ± 0.001 Å
α	90°
β	105.08 ± 0.004°
γ	90°
Cell volume	4197.1 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7053081.cif
180084	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30.	7053081.cif
87712	2013-08-27	cif/ Adding structures of 7053081, 7053082 via cif-deposit CGI script.	7053081.cif