Crystallography Open Database

Information card for entry 7203739

7203738 << 7203739 >> 7203740

Preview

Coordinates	7203739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 N6
Calculated formula	C40 H36 N6
SMILES	c1c2c(c3c(cccc3)c(c2ccc1)CN(Cc1ncccc1)Cc1ncccc1)CN(Cc1ncccc1)Cc1ncccc1
Title of publication	PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units
Authors of publication	Kubo, Kanji; Mori, Akira
Journal of publication	Journal of Materials Chemistry
Year of publication	2005
Journal volume	15
Journal issue	27-28
Pages of publication	2902
a	10.573 ± 0.003 Å
b	10.677 ± 0.003 Å
c	15.007 ± 0.004 Å
α	90°
β	102.55 ± 0.01°
γ	90°
Cell volume	1653.6 ± 0.8 Å³
Cell temperature	173.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.5419 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7203739.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203739.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203739.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203739.cif