Crystallography Open Database

Information card for entry 7051578

Preview

Coordinates	7051578.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N2 O10
Calculated formula	C20 H14 N2 O10
SMILES	c1cc(ccn1=O)c1ccn(cc1)=O.c1(c(cc(c(c1)C(=O)O)C(=O)O)C(=O)O)C(=O)O
Title of publication	Supramolecular synthesis of some molecular adducts of 4,4′-bipyridine N,N′-dioxide
Authors of publication	Arora, Kapildev K.; Talwelkar, Mayura S.; Pedireddi, V. R.
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	1
Pages of publication	57
a	12.926 ± 0.005 Å
b	7.948 ± 0.003 Å
c	19.059 ± 0.007 Å
α	90°
β	106.54 ± 0.01°
γ	90°
Cell volume	1877 ± 1.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
180069 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/15.	7051578.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051578.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051578.cif
1161	2010-05-08	cif/7/ Adding data from New-J-Chem-2009/.	7051578.cif