Crystallography Open Database

Information card for entry 2238607

Preview

Coordinates	2238607.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,2'-{[(1<i>E</i>,1'<i>E</i>)-(Cyclohexane-1,4-diyl)bis(azanylylidene)]bis(ethan-1-yl-1-ylidene)}diphenol
Formula	C22 H26 N2 O2
Calculated formula	C22 H26 N2 O2
SMILES	Oc1ccccc1/C(=N/[C@@H]1CC[C@H](CC1)/N=C(/c1ccccc1O)C)C
Title of publication	2,2'-{[(1<i>E</i>,1'<i>E</i>)-(Cyclohexane-1,4-diyl)bis(azanylylidene)]bis(ethan-1-yl-1-ylidene)}diphenol
Authors of publication	Lakshmi, S. H. Anjana; Kandaswamy, M.; Ramkumar, V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	o1593
a	9.0299 ± 0.0006 Å
b	11.4718 ± 0.0008 Å
c	17.9652 ± 0.0013 Å
α	92.946 ± 0.003°
β	95.521 ± 0.004°
γ	91.204 ± 0.003°
Cell volume	1849.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1121
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.2389
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2238607.cif
89543	2013-11-06	cif/ Adding structures of 2238607 via cif-deposit CGI script.	2238607.cif