Crystallography Open Database

Information card for entry 1517930

Preview

Coordinates	1517930.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4,4'-Dihexyloxy-3,3'-dimethylazobenzne
Formula	C26 H38 N2 O2
Calculated formula	C26 H38 N2 O2
SMILES	O(c1c(cc(/N=N/c2cc(c(OCCCCCC)cc2)C)cc1)C)CCCCCC
Title of publication	Photoinduced Crystal-to-Liquid Phase Transitions of Azobenzene Derivatives and Their Application in Photolithography Processes through a Solid-Liquid Patterning.
Authors of publication	Norikane, Yasuo; Uchida, Emi; Tanaka, Satoko; Fujiwara, Kyoko; Koyama, Emiko; Azumi, Reiko; Akiyama, Haruhisa; Kihara, Hideyuki; Yoshida, Masaru
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	19
Pages of publication	5012 - 5015
a	9.497 ± 0.007 Å
b	18.827 ± 0.013 Å
c	6.964 ± 0.005 Å
α	90°
β	90.454 ± 0.008°
γ	90°
Cell volume	1245.1 ± 1.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2414
Weighted residual factors for all reflections included in the refinement	0.2473
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517930.cif
124611	2014-10-06	cif/ Adding structures of 1517926, 1517927, 1517928, 1517929, 1517930 via cif-deposit CGI script.	1517930.cif