Crystallography Open Database

Information card for entry 7217191

Preview

Coordinates	7217191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 N2 S6 Se
Calculated formula	C19 H23 N2 S6 Se
Title of publication	A highly sensitive TTF-functionalised probe for the determination of physiological thiols and its application in tumor cells
Authors of publication	Wang, Wei; Zhao, Na; Geng, Yan; Cui, Shi-Bin; Hauser, Jürg; Decurtins, Silvio; Liu, Shi-Xia
Journal of publication	RSC Advances
Year of publication	2014
a	15.803 ± 0.0003 Å
b	16.5945 ± 0.0002 Å
c	9.10215 ± 0.00012 Å
α	90°
β	102.16 ± 0.0017°
γ	90°
Cell volume	2333.42 ± 0.06 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	0.0686
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180502 (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 7/21/71.	7217191.cif
120642	2014-07-22	cif/ Adding structures of 7217191 via cif-deposit CGI script.	7217191.cif