Crystallography Open Database

Information card for entry 4517141

Preview

Coordinates	4517141.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	'(E)-2-((4-(diethylamino)phenyl)diazenyl)benzoic acid'
Formula	C17 H19 N3 O2
Calculated formula	C17 H19 N3 O2
SMILES	c1(ccccc1/N=N/c1ccc(cc1)N(CC)CC)C(=O)O
Title of publication	Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance
Authors of publication	Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2013
Journal volume	1
Journal issue	11
Pages of publication	1440
a	10.529 ± 0.004 Å
b	17.052 ± 0.006 Å
c	8.348 ± 0.003 Å
α	90°
β	92.743 ± 0.004°
γ	90°
Cell volume	1497.1 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0644
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
243730 (current)	2019-11-26	cif/ Adding structures of 4517140, 4517141, 4517142, 4517143, 4517144, 4517145 via cif-deposit CGI script.	4517141.cif