Crystallography Open Database

Information card for entry 1514341

Preview

Coordinates	1514341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H50 N2 O8 S2
Calculated formula	C27 H50 N2 O8 S2
SMILES	CCCCCCCCCCCCCCCCOc1ccc2c(c1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].CO.[NH4+].[NH4+]
Title of publication	Pattern-based sensing of aminoglycosides with fluorescent amphiphiles
Authors of publication	Köstereli, Ziya; Scopelliti, Rosario; Severin, Kay
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	6
Pages of publication	2456
a	6.53547 ± 0.00018 Å
b	9.4651 ± 0.0004 Å
c	26.193 ± 0.001 Å
α	83.956 ± 0.003°
β	84.79 ± 0.003°
γ	89.716 ± 0.003°
Cell volume	1604.59 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0375
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1514341.cif
116154	2014-06-07	cif/ Updating files of 1514341 Original log message: Adding full bibliography for 1514341.cif.	1514341.cif
109489	2014-04-15	cif/ Adding structures of 1514341 via cif-deposit CGI script.	1514341.cif