Crystallography Open Database

Information card for entry 4325089

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Structure parameters

Formula	C26 H24 N4
Calculated formula	C26 H24 N4
SMILES	[C@H]1([C@H](CCCC1)/N=C/c1ccc2ccccc2n1)/N=C/c1ccc2ccccc2n1
Title of publication	Zinc(II) and PPi Selective Fluorescence OFF-ON-OFF Functionality of a Chemosensor in Physiological Conditions
Authors of publication	I. Ravikumar; Pradyut Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4229 - 4231
a	5.961 ± 0.004 Å
b	15.134 ± 0.011 Å
c	23.569 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	2126 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4325089.cif
179353	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50.	4325089.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325089.cif
43541	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325089 via cif-deposit CGI script.	4325089.cif