Crystallography Open Database

Information card for entry 4118683

Preview

Coordinates	4118683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 N5
Calculated formula	C16 H21 N5
Title of publication	Reactivity-Based Detection of Copper(II) Ion in Water: Oxidative Cyclization of Azoaromatics as Fluorescence Turn-On Signaling Mechanism
Authors of publication	Junyong Jo; Ho Yong Lee; Wenjun Liu; András Olasz; Chun-Hsing Chen; Dongwhan Lee
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	16000 - 16007
a	7.6002 ± 0.0011 Å
b	14.786 ± 0.002 Å
c	26.613 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2990.7 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for all reflections	0.1765
Weighted residual factors for significantly intense reflections	0.1617
Weighted residual factors for all reflections included in the refinement	0.1765
Goodness-of-fit parameter for all reflections included in the refinement	1.0759
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4118683.cif
76235	2013-03-17	cif/ Adding structures of 4118683 via cif-deposit CGI script.	4118683.cif