Crystallography Open Database

Information card for entry 7052136

Preview

Structure parameters

Formula	C52 H56 N2 O2
Calculated formula	C52 H56 N2 O2
SMILES	c1(c(cc(c(c1)/C=C/c1ccc2c3c1ccc1cccc(c31)cc2)OCCCCCCCC)/C=C/c1cnc(cc1)c1ccccn1)OCCCCCCCC
Title of publication	Synthesis and zinc(ii) complexation modulated fluorescence emission properties of two pyrene-oligo(phenylene vinylene)-2,2?-bipyridine conjugated molecular rods
Authors of publication	Stéphanie Leroy-Lhez; Magali Allain; Jean Oberlé; Frédéric Fages
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	6
Pages of publication	1013
a	9.014 ± 0.0008 Å
b	14.873 ± 0.002 Å
c	16.749 ± 0.002 Å
α	77.96 ± 0.01°
β	83.05 ± 0.01°
γ	77.57 ± 0.01°
Cell volume	2137.8 ± 0.4 Å³
Cell temperature	293 ± 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 significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	0.794
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7052136.html