Crystallography Open Database

Information card for entry 7206357

7206356 << 7206357 >> 7206358

Preview

Coordinates	7206357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 N4 O12
Calculated formula	C29 H24 N4 O12
SMILES	C(COc1ccc(cc1)N(=O)=O)(COc1ccc(cc1)N(=O)=O)(COc1ccc(cc1)N(=O)=O)COc1ccc(cc1)N(=O)=O
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	18.2426 ± 0.0005 Å
b	18.2426 ± 0.0005 Å
c	8.5167 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2834.29 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7206357.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206357.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206357.cif
26820	2011-09-26	../uploads/cif-deposit/cod/cif Adding structures of 7206357, 7206358 via cif-deposit CGI script.	7206357.cif