Crystallography Open Database

Information card for entry 7201772

7201771 << 7201772 >> 7201773

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Coordinates	7201772.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Recognition of Dicarboxylic Acids by 3,3/-Bipyridine Amide Based Receptors and Its Supramolecular Behavior in the Solid State
Formula	C20 H26 N4 O2
Calculated formula	C20 H26 N4 O2
SMILES	C(=O)(C(C)(C)C)Nc1ccc(cn1)c1cnc(cc1)NC(=O)C(C)(C)C
Title of publication	Recognition of dicarboxylic acids by 3,3′-bipyridine amide based receptors and its supramolecular behavior in solid state
Authors of publication	Goswami, Shyamaprosad; Jana, Subrata; Fun, Hoong-Kun
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	5
Pages of publication	507
a	5.8375 ± 0.0001 Å
b	15.957 ± 0.0002 Å
c	10.3299 ± 0.00001 Å
α	90°
β	95.814 ± 0.001°
γ	90°
Cell volume	957.27 ± 0.02 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.096
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1495
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
180348 (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 7/20/17.	7201772.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201772.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201772.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7201772.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7201772.cif