Crystallography Open Database

Information card for entry 7113608

Preview

Coordinates	7113608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 N4 O4 Si
Calculated formula	C22 H32 N4 O4 Si
SMILES	[Si](OCC)(OCC)(OCC)CCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1
Title of publication	Synthesis and crystallographic structure of a novel photoresponsive azobenzene-containing organosilane
Authors of publication	Liu, Nanguo; Dunphy, Darren R.; Rodriguez, Mark A.; Singer, Sarany; Brinker, Jeffrey
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	10
Pages of publication	1144 - 1145
a	15.43 ± 0.003 Å
b	9.2471 ± 0.0017 Å
c	18.504 ± 0.003 Å
α	90°
β	114.501 ± 0.004°
γ	90°
Cell volume	2402.5 ± 0.8 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1754
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103650
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210674 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7103650, 7113608. Marking entry 7113608 as a duplicate of entry 7103650.	7113608.cif
180250	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/36.	7113608.cif
115159	2014-06-02	cif/ Adding structures of 7113608 via cif-deposit CGI script.	7113608.cif