Crystallography Open Database

Information card for entry 7206358

7206357 << 7206358 >> 7206359

Preview

Coordinates	7206358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H52 N4 O14 S2
Calculated formula	C59 H52 N4 O14 S2
Title of publication	Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers
Authors of publication	Dominic Laliberté; Thierry Maris; James D. Wuest
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Pages of publication	158 - 160
a	12.114 ± 0.0005 Å
b	12.114 ± 0.0005 Å
c	8.9974 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1320.36 ± 0.11 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	81
Hermann-Mauguin space group symbol	P -4
Hall space group symbol	P -4
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1703
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
180394 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/63.	7206358.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206358.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206358.cif
26820	2011-09-26	../uploads/cif-deposit/cod/cif Adding structures of 7206357, 7206358 via cif-deposit CGI script.	7206358.cif