Crystallography Open Database

Information card for entry 2006086

2006085 << 2006086 >> 2006087

Preview

Coordinates	2006086.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2,2'-[(1,2-ethanediyl)bis(nitrilobenzylidyne)]bisphenol
Formula	C28 H24 N2 O2
Calculated formula	C28 H24 N2 O2
SMILES	Oc1ccccc1/C(=N/CC/N=C(\c1ccccc1)c1ccccc1O)c1ccccc1
Title of publication	Two Schiff Base Ligands Derived from 1,2-Diaminoethane
Authors of publication	Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	4
Pages of publication	486 - 488
a	18.53 ± 0.008 Å
b	13.443 ± 0.01 Å
c	17.737 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	4418 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1121
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for all reflections	0.0854
Weighted residual factors for significantly intense reflections	0.0674
Goodness-of-fit parameter for all reflections	0.546
Goodness-of-fit parameter for significantly intense reflections	0.796
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.