Crystallography Open Database

Information card for entry 4517145

Preview

Coordinates	4517145.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	'(E)-4-((4-(diethylamino)phenyl)diazenyl)benzoic acid'
Formula	C17 H19 N3 O2
Calculated formula	C17 H19 N3 O2
SMILES	c1cc(ccc1/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	7.921 ± 0.005 Å
b	14.169 ± 0.01 Å
c	14.875 ± 0.011 Å
α	110.092 ± 0.008°
β	103.584 ± 0.009°
γ	90.916 ± 0.005°
Cell volume	1515.4 ± 1.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.1818
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	4517145.cif