Crystallography Open Database

Information card for entry 7153763

Preview

Coordinates	7153763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cs2 N2 O7 S
Calculated formula	C22 H30 Cs2 N2 O7 S
Title of publication	The water-soluble argentivorous molecule: Ag(+)-π interactions in water.
Authors of publication	Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	25
Pages of publication	4265 - 4270
a	8.9076 ± 0.0005 Å
b	9.0591 ± 0.0005 Å
c	17.7228 ± 0.001 Å
α	97.88 ± 0.001°
β	103.75 ± 0.001°
γ	102.067 ± 0.001°
Cell volume	1331.93 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0621
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
180323 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/37.	7153763.cif
111415	2014-04-23	cif/ Adding structures of 7153763, 7153764, 7153765, 7153766 via cif-deposit CGI script.	7153763.cif