Crystallography Open Database

Information card for entry 4113082

Preview

Coordinates	4113082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H92 Cl10 N O13 Sb
Calculated formula	C76 H88 Cl6 N O13 Sb
Title of publication	Synthesis of a Calix[4]arene Derivative for Isolation of a Stable Cation Radical Salt for Use as a Colorimetric Sensor of Nitric Oxide
Authors of publication	Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	13582 - 13583
a	17.7568 ± 0.0006 Å
b	19.4998 ± 0.0007 Å
c	22.7932 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7892.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
178901 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/30.	4113082.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113082.cif
65502	2012-09-05	cif/ Adding structures of 4113082 via cif-deposit CGI script.	4113082.cif